data_2dav_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 2dav _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 ' 11' ' ' ILE . . . . . 0.441 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 74.4 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.739 0.304 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.38 159.19 15.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -131.31 145.09 56.15 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.536 0.684 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 94.72 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.388 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -70.77 104.71 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.7 164.26 0.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -155.78 -152.68 6.29 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.3 m -138.59 114.97 10.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.362 . . . . 0.0 111.177 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.5 p -111.69 142.14 25.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -74.23 156.58 37.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.69 117.28 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.56 -10.18 62.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.527 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -80.75 -179.09 7.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -129.13 120.51 25.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.3 tt -121.36 151.69 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.4 m -132.8 144.34 50.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -112.49 157.49 21.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.5 mm -117.45 138.69 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -156.13 113.82 3.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -113.64 158.04 21.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.8 p -138.63 141.54 36.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.441 ' HD2' ' CD1' ' A' ' 11' ' ' ILE . 3.4 tptm -76.02 117.24 17.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -115.65 150.12 37.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -118.53 -41.93 2.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -92.77 160.78 14.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.2 mt -109.82 -38.56 5.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -55.83 -36.15 67.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? -98.36 150.57 21.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -138.65 126.27 13.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.552 0.691 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 147.68 63.28 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.652 2.235 . . . . 0.0 112.36 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.3 m -112.24 137.36 50.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.472 HG21 ' CD2' ' A' ' 75' ' ' PHE . 8.3 tt -113.01 138.04 43.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -127.68 117.62 22.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.429 ' CE3' ' SD ' ' A' ' 77' ' ' MET . 54.8 m95 -89.6 136.56 32.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.489 ' CE1' ' CG ' ' A' ' 51' ' ' ASP . 65.8 m-85 -129.78 172.04 12.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.549 ' HD3' ' CE1' ' A' ' 90' ' ' TYR . 26.1 tptp -156.82 146.41 20.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.26 -132.93 30.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.572 ' HB3' ' CD1' ' A' ' 49' ' ' TRP . 1.1 tmtp? -104.3 -50.09 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.75 0.309 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.572 ' CD1' ' HB3' ' A' ' 48' ' ' LYS . 4.2 m95 -114.26 -35.65 4.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.408 ' CE ' ' CD2' ' A' ' 52' ' ' LEU . 3.3 ttp -42.49 116.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.489 ' CG ' ' CE1' ' A' ' 45' ' ' PHE . 26.3 t0 -109.48 101.73 10.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.539 HD11 ' CE2' ' A' ' 90' ' ' TYR . 64.0 mt -47.89 -34.42 8.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -44.47 -52.55 7.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.061 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.64 -19.68 55.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -76.79 -23.43 52.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.29 111.44 2.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.71 -52.23 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -129.33 -75.53 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.502 ' CD2' ' HZ2' ' A' ' 83' ' ' LYS . 83.0 m-70 -61.42 -17.04 52.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.857 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.479 ' CD1' HG12 ' A' ' 79' ' ' ILE . 4.6 tp -134.17 144.94 48.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -149.69 123.6 9.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.417 HD23 ' CD1' ' A' ' 44' ' ' TRP . 22.1 mt -91.03 163.76 14.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -140.32 151.18 44.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -151.76 134.39 15.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.7 t -145.71 146.68 31.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.537 ' CD1' ' CE2' ' A' ' 73' ' ' TYR . 32.3 t80 -114.2 146.82 39.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -129.32 90.86 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -22.58 62.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -53.92 -39.58 65.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.5 t -124.42 4.35 8.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.5 mtt180 57.97 39.92 26.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.4 t -128.98 133.18 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.537 ' CE2' ' CD1' ' A' ' 66' ' ' PHE . 90.6 m-85 -92.84 153.91 18.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 85.9 m -135.66 106.3 6.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.472 ' CD2' HG21 ' A' ' 42' ' ' ILE . 9.7 m-85 -102.12 134.52 45.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -121.73 165.53 15.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.429 ' SD ' ' CE3' ' A' ' 44' ' ' TRP . 46.3 ttp -135.01 100.32 4.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -87.51 112.73 22.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.479 HG12 ' CD1' ' A' ' 60' ' ' LEU . 2.8 mt -103.93 110.13 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.4 mp -95.27 146.66 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.0 mttm 47.27 51.28 13.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.23 110.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.502 ' HZ2' ' CD2' ' A' ' 59' ' ' HIS . 25.9 mttt -88.48 165.4 14.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.38 -12.65 2.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -83.48 -20.74 33.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.438 ' CE2' HG21 ' A' ' 79' ' ' ILE . 6.5 m-85 -72.84 -14.63 61.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.31 147.0 38.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 143.15 -139.39 8.9 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -114.81 126.31 54.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.549 ' CE1' ' HD3' ' A' ' 46' ' ' LYS . 8.7 m-85 -98.93 169.99 9.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -152.11 152.87 32.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 56.5 m -136.04 132.63 36.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -128.79 118.12 22.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.2 t -126.67 107.28 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -100.71 101.88 12.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.8 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.903 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -140.83 147.67 39.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 60.7 p -139.86 142.45 36.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.5 p -144.15 147.43 33.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 46.5 p -129.77 146.52 51.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.519 ' CZ ' ' CB ' ' A' ' 90' ' ' TYR . 47.2 p90 -132.86 -175.22 3.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -124.25 138.38 54.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -125.03 136.02 53.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -118.86 145.96 45.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 19.1 t -123.28 120.61 60.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -103.93 144.4 31.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -68.71 121.0 15.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.833 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.7 mm . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.816 0.341 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.41 ' CB ' ' HE3' ' A' ' 30' ' ' LYS . 1.3 tp10 -94.63 160.04 14.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -128.11 149.64 71.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.523 0.678 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 85.06 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -56.33 107.44 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.31 161.68 5.35 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -157.99 -159.31 9.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.4 m -134.37 115.92 14.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 0.0 111.121 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.4 p -111.02 143.2 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.83 155.82 38.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.1 t -63.64 122.39 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.67 -15.66 62.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.501 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -76.09 -175.48 3.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.892 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -131.86 121.3 23.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.5 tt -120.62 154.82 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.139 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.1 m -138.7 140.79 38.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -111.43 152.91 26.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.425 HG21 ' N ' ' A' ' 29' ' ' ALA . 42.2 mm -114.5 134.2 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.425 ' N ' HG21 ' A' ' 28' ' ' ILE . . . -145.05 114.24 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.41 ' HE3' ' CB ' ' A' ' 12' ' ' GLU . 13.3 mtmt -107.5 152.29 24.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.1 p -139.88 132.88 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -76.14 119.37 19.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -118.69 147.59 43.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -127.15 43.51 3.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -169.86 160.35 8.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.0 mt -116.27 -28.94 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.502 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 2.1 mp -70.73 -27.63 64.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -110.83 138.04 47.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.832 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.459 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 32.3 ttmt -126.36 127.24 24.64 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.546 0.689 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 163.6 37.67 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.653 2.236 . . . . 0.0 112.351 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.3 m -132.38 138.53 47.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.512 HG21 ' CG ' ' A' ' 75' ' ' PHE . 14.6 tt -116.52 130.67 70.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.565 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 3.0 tppp? -116.53 119.26 35.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.451 ' CE3' ' CE ' ' A' ' 77' ' ' MET . 27.4 m95 -89.59 128.81 36.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 56.0 m-85 -123.43 156.52 35.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.551 ' HD3' ' CE1' ' A' ' 90' ' ' TYR . 22.9 tptp -134.37 143.93 47.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.02 -129.64 35.26 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.524 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.446 ' HG2' ' CE2' ' A' ' 49' ' ' TRP . 6.0 ttmt -103.78 -54.33 2.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.446 ' CE2' ' HG2' ' A' ' 48' ' ' LYS . 4.8 m95 -113.08 -33.1 6.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.4 ttp -43.03 119.8 1.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -110.32 129.44 55.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.455 HD11 ' CE2' ' A' ' 90' ' ' TYR . 18.7 mt -77.95 -32.76 51.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -44.41 -33.54 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.3 t -91.78 -20.72 21.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' LEU . 72.3 mmtt -77.71 -26.13 49.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.454 ' N ' HD21 ' A' ' 60' ' ' LEU . . . -55.79 109.57 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.97 -71.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -121.16 -52.55 2.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.447 ' CE1' ' HE2' ' A' ' 83' ' ' LYS . 5.9 m-70 -77.66 -13.04 60.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.475 ' CD1' HG12 ' A' ' 79' ' ' ILE . 4.1 tp -141.63 143.92 33.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.932 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.425 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 11.2 mm-40 -148.9 123.62 9.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.8 mt -89.98 162.73 15.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -143.44 146.87 33.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -151.23 136.81 17.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.2 t -146.12 155.66 42.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.53 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 35.4 t80 -121.99 143.4 49.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -124.76 94.05 4.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -27.32 68.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -49.9 -40.95 44.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.8 m -123.38 2.64 9.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 59.32 53.13 5.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 73' ' ' TYR . 89.4 t -141.05 140.02 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.53 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 18.1 m-85 -100.96 145.6 28.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 94.3 m -125.42 108.43 11.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.512 ' CG ' HG21 ' A' ' 42' ' ' ILE . 5.2 m-85 -102.76 141.2 35.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -131.66 163.91 27.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.451 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 44.0 ttp -134.71 98.32 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -85.38 110.97 19.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.475 HG12 ' CD1' ' A' ' 60' ' ' LEU . 2.6 mt -103.11 103.5 15.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 59' ' ' HIS . 1.1 mp -88.6 142.89 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.2 mttt 49.39 47.55 22.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.9 115.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.488 ' HG3' ' CE1' ' A' ' 86' ' ' PHE . 44.6 mttt -87.65 162.82 16.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.07 -15.51 9.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -83.1 -18.63 38.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.488 ' CE1' ' HG3' ' A' ' 83' ' ' LYS . 5.2 m-85 -71.29 -14.06 62.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.463 ' CB ' HG23 ' A' ' 109' ' ' VAL . . . -78.14 152.72 32.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 138.71 -137.71 8.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -114.82 130.97 56.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.551 ' CE1' ' HD3' ' A' ' 46' ' ' LYS . 8.6 m-85 -104.96 156.87 17.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.9 ttp85 -148.16 123.65 10.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 14.7 p -116.48 139.72 50.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.525 ' OE1' ' CE2' ' A' ' 45' ' ' PHE . 12.4 mt-10 -125.54 118.36 25.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 90.2 t -120.9 108.08 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.5 m -107.08 118.97 38.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 11.9 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.8 t80 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.853 0.358 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -128.72 146.5 50.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.5 m -142.75 163.84 31.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 31.6 p -163.48 157.94 20.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 59.6 p -123.34 146.21 48.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.619 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 0.1 OUTLIER -130.2 -176.01 3.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -131.68 130.99 42.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.423 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 2.7 tm? -125.82 121.91 34.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -105.36 159.2 16.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.463 HG23 ' CB ' ' A' ' 87' ' ' ALA . 23.5 t -133.36 124.83 49.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -103.99 143.08 33.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.807 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -66.12 122.6 17.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.0 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.84 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 12' ' ' GLU . 3.2 tp . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.785 0.326 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.494 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 8.7 tp10 -114.73 154.34 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt -122.22 142.15 36.15 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.583 0.706 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 101.34 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.248 . . . . 0.0 112.368 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -71.45 116.42 11.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.81 162.7 8.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.7 -150.83 5.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.525 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.409 HG23 ' NE2' ' A' ' 110' ' ' HIS . 3.8 m -142.54 115.1 8.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 111.149 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.401 HG21 ' N ' ' A' ' 20' ' ' LYS . 14.9 p -114.78 141.54 30.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' CB ' ' OE1' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -74.31 155.1 38.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.6 t -64.2 121.36 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.087 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.62 -4.44 69.22 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.405 ' OE1' ' CB ' ' A' ' 20' ' ' LYS . 30.1 mt-10 -88.37 -176.61 5.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -126.17 128.64 47.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.8 tt -131.08 153.21 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.5 m -138.64 139.58 38.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.561 ' CE1' ' HE2' ' A' ' 77' ' ' MET . 78.8 m-85 -108.51 155.48 20.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.3 mm -111.15 141.02 27.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.097 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.45 116.79 5.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -108.7 148.48 30.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.8 t -138.09 130.37 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -75.92 128.96 36.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.73 164.36 26.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.063 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -123.62 -42.81 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.35 135.91 33.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.87 -42.79 23.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.9 mt -56.62 -59.46 4.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -63.69 132.6 51.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 25.5 ttpt -129.89 119.61 19.06 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.522 0.677 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 163.49 38.08 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.383 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.2 m -125.39 133.53 52.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.416 HG21 ' CB ' ' A' ' 75' ' ' PHE . 12.4 tt -107.83 128.92 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.144 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.44 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 3.2 tppt? -118.21 121.16 39.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.418 ' CE2' ' HB2' ' A' ' 77' ' ' MET . 17.6 m95 -93.34 129.1 39.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.44 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 51.3 m-85 -121.71 154.35 36.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -125.8 147.39 49.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.22 -131.93 50.16 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -104.34 -48.02 3.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 5.3 m95 -116.03 -31.38 5.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.7 ttp -42.86 124.32 3.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -106.32 136.57 45.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.533 HD13 ' CE2' ' A' ' 90' ' ' TYR . 80.1 mt -89.84 -40.45 12.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -42.9 -32.42 0.63 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.7 t -83.41 -31.77 26.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' LEU . 38.3 mmtt -71.22 -28.76 64.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.42 110.45 0.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.435 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . -171.8 -73.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.45 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -117.39 -38.75 3.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.826 0.346 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.508 ' CE1' ' NZ ' ' A' ' 83' ' ' LYS . 11.4 m-70 -92.09 -15.8 27.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.444 ' CD1' HG12 ' A' ' 79' ' ' ILE . 5.0 tp -139.85 145.22 37.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 56.7 mm-40 -148.77 122.87 9.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.1 mt -95.19 153.51 17.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -130.92 150.18 52.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -150.12 134.11 16.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.462 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 12.1 t -143.15 154.12 43.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.681 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 57.6 t80 -119.67 147.6 44.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -129.62 96.5 4.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -22.3 66.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -43.64 -64.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t -111.74 6.46 19.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.4 mtt85 66.31 45.71 2.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.2 t -125.74 139.82 50.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.681 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 64.2 m-85 -99.85 150.55 22.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.462 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 87.6 m -132.72 101.69 5.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.138 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.416 ' CB ' HG21 ' A' ' 42' ' ' ILE . 12.4 m-85 -102.58 139.63 37.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -125.38 166.61 16.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.561 ' HE2' ' CE1' ' A' ' 27' ' ' PHE . 12.0 tmm? -135.04 99.77 4.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -83.79 138.18 33.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.512 ' CG1' ' SD ' ' A' ' 77' ' ' MET . 2.3 mt -126.78 101.32 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.421 HD12 ' C ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -88.56 141.41 14.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 179.842 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.407 ' HB2' ' ND1' ' A' ' 59' ' ' HIS . 14.9 mttp 50.7 45.77 26.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.55 126.77 10.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.076 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.508 ' NZ ' ' CE1' ' A' ' 59' ' ' HIS . 23.0 mttm -99.68 162.29 13.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.92 -16.55 12.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -82.8 -18.99 38.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -72.61 -16.01 61.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.409 ' CB ' ' CG2' ' A' ' 109' ' ' VAL . . . -75.45 142.69 42.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 143.27 -141.77 10.77 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -107.48 134.67 50.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.559 ' CE2' ' HE3' ' A' ' 77' ' ' MET . 26.4 m-85 -110.96 170.2 8.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -151.06 148.45 28.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.3 p -139.31 117.79 12.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.401 ' HG2' ' CB ' ' A' ' 102' ' ' SER . 36.2 mt-10 -113.07 120.21 40.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.4 t -120.29 106.21 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.163 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.6 p -95.76 131.7 41.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 9.4 t80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.866 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.871 0.367 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -139.16 156.79 46.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.401 ' CB ' ' HG2' ' A' ' 93' ' ' GLU . 70.7 p -146.28 148.03 32.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 7.5 t -129.02 168.68 15.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 94.0 p -140.84 139.58 34.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.479 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 1.2 p90 -130.52 -177.27 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.4 128.45 41.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 108' ' ' GLU . 29.9 tp -110.97 159.13 18.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.427 ' N ' ' HG ' ' A' ' 107' ' ' LEU . 21.5 mt-10 -134.49 148.09 50.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.409 ' CG2' ' CB ' ' A' ' 87' ' ' ALA . 16.6 t -127.43 122.86 60.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.163 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.409 ' NE2' HG23 ' A' ' 18' ' ' THR . 16.1 m170 -103.35 141.62 35.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -67.56 120.73 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.748 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.1 mm . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.828 0.347 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.469 ' CB ' ' HE3' ' A' ' 30' ' ' LYS . 8.4 tp10 -86.91 136.32 32.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -118.43 142.52 31.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.578 0.704 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 82.71 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.392 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -58.84 112.07 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.58 156.93 34.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.16 -147.22 4.48 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.522 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.428 HG22 ' CB ' ' A' ' 108' ' ' GLU . 5.7 m -139.94 116.11 10.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 111.134 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.1 p -111.1 139.59 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.43 ' HB3' ' CD ' ' A' ' 23' ' ' GLU . 1.6 tppp? -73.5 152.82 40.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.3 t -60.43 119.19 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.74 -17.73 57.9 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.507 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 1.6 mp0 -75.9 -178.44 4.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.892 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -128.57 132.1 48.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.2 tt -129.66 154.05 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.3 m -134.96 129.27 33.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -102.0 136.79 41.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 32.1 mm -99.02 125.83 52.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.5 111.61 4.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.076 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.469 ' HE3' ' CB ' ' A' ' 12' ' ' GLU . 2.0 ptpt -128.22 142.43 51.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.2 p -111.76 149.8 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -75.63 133.61 40.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.57 163.75 27.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -132.23 -48.43 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -89.34 161.42 16.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.2 mt -104.44 -39.6 6.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -51.46 -44.65 62.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -85.67 155.95 20.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.4 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 27.3 ttmt -144.37 119.89 6.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.701 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.426 ' HD2' ' CE1' ' A' ' 73' ' ' TYR . 54.2 Cg_endo -69.7 127.7 15.01 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.679 2.252 . . . . 0.0 112.364 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 56.5 m -88.37 142.41 27.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.404 HG23 ' CD1' ' A' ' 75' ' ' PHE . 18.9 tt -126.34 149.0 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.102 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.583 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 2.4 tppp? -144.18 137.52 27.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -105.35 133.1 50.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.583 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 64.7 m-85 -130.11 162.39 28.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.434 ' HD3' ' N ' ' A' ' 47' ' ' GLY . 14.2 tmtt? -151.22 144.68 24.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.434 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 70.19 -132.48 23.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HG2' ' CD1' ' A' ' 49' ' ' TRP . 24.2 ttpt -104.54 -52.64 2.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.779 0.323 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.562 ' CD1' ' HG2' ' A' ' 48' ' ' LYS . 65.0 m95 -114.23 -34.56 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.444 ' CE ' ' CD2' ' A' ' 52' ' ' LEU . 2.2 ttp -41.87 113.57 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -108.56 100.89 10.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.444 ' CD2' ' CE ' ' A' ' 50' ' ' MET . 36.7 mt -47.1 -42.93 19.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.47 ' CB ' ' HD2' ' A' ' 43' ' ' LYS . . . -41.4 -49.7 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 p -78.12 -29.54 48.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt -66.85 -31.34 71.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.17 118.64 4.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -163.14 -57.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.454 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -132.2 -63.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -65.71 -28.14 68.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.479 ' CD1' HG12 ' A' ' 79' ' ' ILE . 3.9 tp -120.48 146.54 46.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.41 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 32.7 mm-40 -148.98 126.37 11.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.7 mt -97.81 157.42 16.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -130.34 150.4 51.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -152.7 126.41 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.441 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 6.5 t -141.5 162.81 34.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.428 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 61.5 t80 -132.39 144.95 50.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 71' ' ' ARG . 33.2 mp0 -124.24 105.33 9.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -37.34 80.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.429 ' CD2' ' HB3' ' A' ' 67' ' ' GLU . 1.4 p-80 -54.36 -36.21 63.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.0 p -112.22 -9.16 13.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 67' ' ' GLU . 14.2 mtt85 56.73 51.57 10.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.7 t -143.1 135.25 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 75' ' ' PHE . 76.3 m-85 -90.26 124.12 34.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.441 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 62.3 m -106.93 106.85 17.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.138 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 73' ' ' TYR . 14.3 m-85 -104.39 142.71 34.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -135.77 167.07 21.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 31.3 ttp -136.7 102.71 4.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 61' ' ' GLN . 2.8 tt0 -89.04 111.46 22.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.479 HG12 ' CD1' ' A' ' 60' ' ' LEU . 3.1 mt -102.53 117.9 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.4 mp -103.53 130.47 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.1 mttt 64.05 45.66 4.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.89 112.67 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -89.84 166.07 13.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.34 -24.03 41.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.43 -16.57 61.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -79.87 -10.26 59.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.419 ' CB ' ' CG2' ' A' ' 109' ' ' VAL . . . -88.42 118.99 28.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 170.19 -123.99 1.1 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.445 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -116.66 138.54 51.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 9.2 m-85 -122.29 144.74 48.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -130.93 158.02 41.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 7.1 t -139.58 128.9 24.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -118.11 130.71 56.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.3 p -140.99 115.0 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.9 m -110.13 141.17 43.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.159 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 5.3 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 22.4 t80 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.866 0.365 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -135.72 154.61 51.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 52.1 p -136.4 123.16 21.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 16.2 t -124.34 126.34 45.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 100.0 p -112.33 149.51 32.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 90' ' ' TYR . 1.9 p90 -135.22 176.77 8.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -118.37 131.87 56.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.402 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 1.9 tm? -117.78 131.72 56.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.428 ' CB ' HG22 ' A' ' 18' ' ' THR . 2.0 mp0 -111.64 153.31 26.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.419 ' CG2' ' CB ' ' A' ' 87' ' ' ALA . 21.8 t -136.48 117.39 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -103.0 143.89 31.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.97 128.08 34.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.802 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.447 ' CG2' ' N ' ' A' ' 12' ' ' GLU . 4.6 tp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.774 0.321 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.447 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 9.7 tm-20 -123.78 142.27 51.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -130.2 145.12 55.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.608 0.718 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 120.95 7.66 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -90.38 17.47 7.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 48.89 -178.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.525 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -174.37 -148.22 6.47 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.418 HG22 ' NE2' ' A' ' 110' ' ' HIS . 16.9 m -142.32 125.38 16.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.805 0.336 . . . . 0.0 111.172 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 20' ' ' LYS . 14.7 p -123.49 143.03 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' N ' HG23 ' A' ' 19' ' ' VAL . 1.4 tppp? -73.86 153.17 39.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.99 117.61 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.143 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.85 -9.82 62.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -82.14 -178.43 7.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -128.49 126.11 39.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.7 tt -127.01 152.78 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 m -132.55 135.6 46.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.496 ' CD1' ' HE1' ' A' ' 77' ' ' MET . 40.2 m-85 -105.5 154.59 20.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 38.9 mm -113.04 136.44 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -157.4 112.82 2.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.117 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -114.7 169.28 9.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.6 p -146.52 138.14 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -76.19 114.27 14.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.03 167.83 9.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.065 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -133.81 -43.88 0.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.46 ' OD1' ' C ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -97.86 156.11 16.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.8 mt -101.36 -47.24 4.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.9 mt -43.03 -47.25 5.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -90.43 153.78 20.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt -141.68 123.19 8.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.571 0.7 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 148.87 66.05 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.646 2.23 . . . . 0.0 112.359 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 42' ' ' ILE . 33.6 m -114.4 139.52 49.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.204 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.408 ' N ' HG23 ' A' ' 41' ' ' THR . 5.7 tt -109.02 151.86 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -142.58 117.05 9.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -89.37 134.52 34.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.472 ' CE1' ' OD1' ' A' ' 51' ' ' ASP . 67.5 m-85 -126.12 171.74 10.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 47' ' ' GLY . 11.1 tmtt? -162.15 145.88 12.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.463 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 69.55 -132.44 24.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.507 ' HD2' ' CE2' ' A' ' 49' ' ' TRP . 6.5 tmtm? -104.4 -55.89 2.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.507 ' CE2' ' HD2' ' A' ' 48' ' ' LYS . 17.8 m95 -112.15 -31.81 6.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.467 ' CE ' HD21 ' A' ' 52' ' ' LEU . 5.9 ttp -42.78 118.65 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.472 ' OD1' ' CE1' ' A' ' 45' ' ' PHE . 18.5 t70 -112.77 101.96 10.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.529 HD12 ' CE2' ' A' ' 90' ' ' TYR . 33.7 mt -49.75 -39.23 36.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -43.1 -49.12 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 p -79.47 -20.82 46.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt -74.03 -28.89 61.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.36 119.84 6.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -164.16 -68.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.439 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -123.07 -63.68 1.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.437 ' CD2' ' HZ2' ' A' ' 83' ' ' LYS . 68.9 m-70 -64.0 -29.19 70.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.468 ' CD1' HG12 ' A' ' 79' ' ' ILE . 4.9 tp -121.06 146.15 47.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -148.42 124.31 10.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.0 mt -94.71 162.44 13.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -138.37 145.57 41.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -152.19 126.05 9.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.471 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 15.1 t -138.08 166.27 24.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.453 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 39.2 t80 -128.01 144.14 51.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.407 ' OE1' ' O ' ' A' ' 72' ' ' VAL . 12.8 mp0 -126.05 95.61 4.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -28.89 70.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -51.29 -37.78 49.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.8 m -123.06 -0.23 8.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 31.7 mtm-85 59.5 48.58 9.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.407 ' O ' ' OE1' ' A' ' 67' ' ' GLU . 87.4 t -139.17 133.19 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.556 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 37.6 m-85 -90.57 137.77 32.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.471 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 16.4 m -115.32 106.0 13.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' A' ' 73' ' ' TYR . 7.8 m-85 -105.45 133.45 50.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -125.03 167.29 14.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.496 ' HE1' ' CD1' ' A' ' 27' ' ' PHE . 47.1 ttp -134.85 99.37 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -88.32 111.85 22.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.949 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.468 HG12 ' CD1' ' A' ' 60' ' ' LEU . 2.8 mt -103.16 117.0 47.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.3 mp -102.86 130.89 52.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.2 mttm 61.04 52.83 3.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.68 112.63 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.083 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.437 ' HZ2' ' CD2' ' A' ' 59' ' ' HIS . 23.6 mttm -86.91 168.3 13.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.3 -10.86 3.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -85.97 -16.29 38.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -78.71 -6.39 55.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -90.4 124.98 35.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.067 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 166.05 -134.43 3.29 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -116.73 123.72 47.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.624 ' CB ' ' CE2' ' A' ' 105' ' ' PHE . 3.7 m-85 -101.32 159.28 15.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -152.8 123.71 7.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.0 p -115.42 137.58 51.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.448 ' HG2' ' CB ' ' A' ' 102' ' ' SER . 30.7 mt-10 -134.4 132.19 39.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.504 ' O ' ' CG2' ' A' ' 94' ' ' VAL . 3.3 m -134.75 117.5 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.0 m -100.47 113.39 26.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.1 t80 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 -179.906 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -137.68 148.26 45.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.448 ' CB ' ' HG2' ' A' ' 93' ' ' GLU . 59.6 p -145.6 168.26 21.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 30.8 p -147.73 -178.87 6.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.9 m -140.99 143.86 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.624 ' CE2' ' CB ' ' A' ' 90' ' ' TYR . 0.5 OUTLIER -142.78 -176.79 5.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.3 150.93 49.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -130.55 129.87 43.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.4 ' CB ' HG23 ' A' ' 18' ' ' THR . 40.2 mt-10 -107.53 147.18 30.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 38.6 t -128.25 122.19 57.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.159 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.418 ' NE2' HG22 ' A' ' 18' ' ' THR . 17.5 m170 -103.29 140.98 36.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -64.48 123.63 19.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.846 -179.776 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.453 HG12 ' N ' ' A' ' 32' ' ' LYS . 28.0 mm . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.796 0.331 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -109.55 143.17 39.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -107.99 140.31 21.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.594 0.711 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 83.11 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.735 2.29 . . . . 0.0 112.328 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -62.93 107.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.4 167.19 0.43 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.456 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.52 -146.91 4.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.1 m -142.65 110.91 6.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 0.0 111.098 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.424 HG23 ' N ' ' A' ' 20' ' ' LYS . 13.7 p -106.07 141.66 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.424 ' N ' HG23 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -73.94 153.65 39.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.409 HG22 ' CG1' ' A' ' 109' ' ' VAL . 61.3 t -63.11 123.16 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.16 -16.94 59.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -74.91 -175.3 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.5 p-10 -130.27 120.95 25.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.5 tt -123.04 151.54 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.2 m -134.72 141.94 46.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.493 ' CD1' ' HE3' ' A' ' 77' ' ' MET . 76.5 m-85 -107.69 153.33 23.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.9 mm -113.18 139.26 39.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.161 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -148.1 117.76 7.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.0 mtmt -116.82 148.86 40.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.925 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.9 p -141.99 139.48 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.453 ' N ' HG12 ' A' ' 11' ' ' ILE . 7.6 tptt -76.17 127.58 33.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -123.01 159.65 27.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -124.98 -44.46 1.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -93.56 131.96 38.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 40.6 mt -73.61 -50.4 21.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 mt -53.27 -47.45 69.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -72.96 143.91 47.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.476 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 33.5 ttmt -140.86 122.05 9.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.504 0.669 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 139.55 40.41 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 65.8 m -97.61 144.69 27.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 11.8 tt -123.93 147.91 28.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 1.7 tppp? -136.33 126.74 26.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 42.9 m95 -96.72 124.87 40.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 64.0 m-85 -122.02 170.34 9.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' A' ' 47' ' ' GLY . 11.0 tmtt? -160.56 145.67 14.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.425 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 70.24 -131.04 22.18 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.506 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.553 ' HB3' ' CD1' ' A' ' 49' ' ' TRP . 3.8 tmtp? -104.23 -56.51 2.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.758 0.313 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.553 ' CD1' ' HB3' ' A' ' 48' ' ' LYS . 4.3 m95 -113.41 -30.53 6.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.941 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.458 ' CE ' HD21 ' A' ' 52' ' ' LEU . 2.8 ttp -43.74 114.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.498 ' CG ' ' CE1' ' A' ' 45' ' ' PHE . 32.8 t0 -108.62 100.12 9.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.458 HD21 ' CE ' ' A' ' 50' ' ' MET . 42.4 mt -44.56 -34.56 2.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.925 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -45.87 -50.84 13.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.59 -11.96 59.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.435 ' CE ' ' HG2' ' A' ' 50' ' ' MET . 50.8 mmtt -85.1 -19.23 32.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.14 113.18 4.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.072 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.477 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . -154.18 -71.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.51 ' CG ' ' N ' ' A' ' 59' ' ' HIS . 2.7 ptpp? -124.16 -48.49 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.787 0.327 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.51 ' N ' ' CG ' ' A' ' 58' ' ' LYS . 78.5 m-70 -77.28 -16.93 58.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.474 ' CD1' HG12 ' A' ' 79' ' ' ILE . 4.0 tp -134.32 145.68 49.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.932 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 76.7 mm-40 -150.39 124.89 9.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.0 mt -91.05 162.59 14.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -138.2 148.39 44.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -151.64 129.04 11.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.471 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 11.7 t -140.4 157.47 45.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.172 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.522 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 35.9 t80 -128.64 144.77 51.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -127.86 91.92 3.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.454 ' HD2' ' CE2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -59.35 -24.87 63.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -52.98 -35.85 59.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.3 m -125.75 -0.58 7.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.5 mtm-85 60.07 45.52 11.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.0 t -133.53 132.15 57.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.522 ' CE2' ' HB2' ' A' ' 66' ' ' PHE . 85.6 m-85 -91.33 155.14 18.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.471 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 86.1 m -137.93 106.35 5.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -104.21 139.07 39.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -131.02 166.82 20.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.493 ' HE3' ' CD1' ' A' ' 27' ' ' PHE . 44.6 ttp -134.98 97.71 3.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -82.88 110.65 18.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.474 HG12 ' CD1' ' A' ' 60' ' ' LEU . 2.8 mt -102.42 112.14 34.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.0 mp -97.68 136.34 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.169 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.4 mttt 55.74 50.64 13.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.78 115.23 1.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.081 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -89.68 173.9 8.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.84 -7.73 12.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -89.95 -12.49 38.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.452 ' CE2' HG23 ' A' ' 79' ' ' ILE . 3.4 m-85 -83.52 1.1 43.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.429 ' HB1' ' CG2' ' A' ' 109' ' ' VAL . . . -99.49 129.72 45.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.092 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 160.43 -130.28 2.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -116.11 122.28 44.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.537 ' CB ' ' CE2' ' A' ' 105' ' ' PHE . 7.4 m-85 -102.56 135.6 43.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -125.69 121.55 33.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.9 t -114.12 138.09 50.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.468 ' OE1' ' CZ ' ' A' ' 100' ' ' PHE . 20.5 mm-40 -128.04 132.12 49.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.4 p -125.68 113.03 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.5 m -104.42 112.48 25.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.1 t80 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 -179.906 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.468 ' CZ ' ' OE1' ' A' ' 93' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.828 0.347 . . . . 0.0 110.894 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -108.44 172.0 7.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.427 ' CB ' ' OE2' ' A' ' 93' ' ' GLU . 34.6 p -140.68 166.98 23.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 15.3 t -159.52 147.17 17.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 99.4 p -141.91 133.0 26.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.537 ' CE2' ' CB ' ' A' ' 90' ' ' TYR . 0.5 OUTLIER -136.25 179.98 6.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.858 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -128.66 125.69 38.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.435 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 2.5 tm? -105.77 138.73 41.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -119.2 148.3 43.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.429 ' CG2' ' HB1' ' A' ' 87' ' ' ALA . 37.2 t -125.37 119.95 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -103.0 141.73 35.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -63.59 120.6 12.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 29.1 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.816 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 12' ' ' GLU . 6.6 tt . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.802 0.334 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.47 ' N ' HG22 ' A' ' 11' ' ' ILE . 1.2 tp10 -106.76 153.81 21.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.402 ' HG3' ' C ' ' A' ' 12' ' ' GLU . 2.9 mtmp? -142.45 136.56 14.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.711 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 119.24 6.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.319 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -92.45 27.4 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 38.28 -157.98 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 171.83 -156.62 26.14 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.512 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 m -135.29 118.74 16.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 111.162 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.7 p -116.48 144.31 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.07 152.18 31.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 80.0 t -60.67 116.56 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.133 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.78 -12.07 60.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -79.98 -177.15 5.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 110.936 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -128.68 121.75 29.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.5 tt -123.06 152.57 27.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 m -136.43 136.47 39.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.154 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -106.79 154.5 20.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.466 ' CG2' ' HE2' ' A' ' 30' ' ' LYS . 37.4 mm -115.56 134.48 58.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.088 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.426 ' N ' HG23 ' A' ' 28' ' ' ILE . . . -153.41 112.72 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.069 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.466 ' HE2' ' CG2' ' A' ' 28' ' ' ILE . 21.6 mtmt -114.82 164.63 13.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.0 p -140.04 144.54 27.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.161 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.9 tptt -77.08 122.02 24.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -123.73 147.1 47.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.084 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -118.66 -46.18 2.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -89.24 120.2 30.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 70.3 mt -66.56 -47.86 71.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 mt -50.19 -40.63 47.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -81.3 137.48 35.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 3.7 ttmm -130.44 120.13 18.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.611 0.719 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 168.98 19.9 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.9 m -134.28 132.24 39.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.518 HG22 ' CG ' ' A' ' 75' ' ' PHE . 6.5 tt -113.42 134.42 56.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -128.79 117.84 21.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.559 ' CE3' ' SG ' ' A' ' 92' ' ' CYS . 45.5 m95 -85.42 139.41 31.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -131.87 167.65 19.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.568 ' HD3' ' CE1' ' A' ' 90' ' ' TYR . 20.9 tptm -145.68 153.3 40.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.73 -127.2 40.89 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.508 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.593 ' HG3' ' CD1' ' A' ' 49' ' ' TRP . 16.3 tptm -102.91 -60.25 1.58 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.73 0.3 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.593 ' CD1' ' HG3' ' A' ' 48' ' ' LYS . 77.2 m95 -128.2 38.0 4.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.1 ttp -94.61 126.53 39.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -97.0 120.69 37.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.1 mt -82.95 -41.33 18.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -42.46 -42.5 3.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.2 t -72.37 -34.65 68.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -65.87 -35.27 80.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.24 112.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -157.88 -58.74 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -129.86 -58.24 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -70.29 -27.0 64.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.467 ' CD1' HG12 ' A' ' 79' ' ' ILE . 3.9 tp -124.55 145.5 49.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.406 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 29.5 mm-40 -148.26 125.73 11.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.7 mt -93.5 162.8 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -136.88 146.88 46.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -152.56 129.21 10.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.478 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 14.8 t -142.73 163.94 31.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.124 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.446 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 45.1 t80 -125.85 145.13 50.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -129.46 91.34 3.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -32.48 71.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -38.02 -49.02 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.5 m -118.49 3.52 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.3 mtt85 62.96 41.73 8.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 95.3 t -128.46 134.85 63.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.446 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 63.7 m-85 -90.76 152.4 20.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.478 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 11.5 m -131.49 114.53 15.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.518 ' CG ' HG22 ' A' ' 42' ' ' ILE . 6.9 m-85 -113.93 141.2 47.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.45 ' OE2' ' C ' ' A' ' 75' ' ' PHE . 1.4 mp0 -135.04 166.82 22.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 45.2 ttp -134.96 99.98 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -85.67 108.78 18.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.467 HG12 ' CD1' ' A' ' 60' ' ' LEU . 2.6 mt -100.42 115.03 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.4 mp -100.22 134.77 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.5 mttt 57.54 47.89 15.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.03 114.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -89.34 166.16 13.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.32 -25.36 48.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -72.69 -16.73 61.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -78.87 -6.32 55.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.476 ' CB ' ' CG2' ' A' ' 109' ' ' VAL . . . -88.74 115.75 26.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 172.05 -153.13 18.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -98.28 120.52 38.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.357 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.651 ' CB ' ' CZ ' ' A' ' 105' ' ' PHE . 16.1 m-85 -98.42 150.52 21.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -134.85 156.43 48.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.559 ' SG ' ' CE3' ' A' ' 44' ' ' TRP . 1.8 m -144.51 145.32 31.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -139.68 120.56 14.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.49 104.37 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.2 m -94.2 118.68 31.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.5 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.888 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -122.7 149.46 44.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 79.5 p -145.37 139.07 26.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 50.6 m -140.35 165.62 26.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 37.5 m -142.12 164.27 30.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.651 ' CZ ' ' CB ' ' A' ' 90' ' ' TYR . 30.9 p90 -146.48 -175.67 4.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -128.68 124.7 36.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.422 HD13 ' N ' ' A' ' 108' ' ' GLU . 2.7 tm? -111.01 135.39 51.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.422 ' N ' HD13 ' A' ' 107' ' ' LEU . 38.2 mt-10 -115.11 144.46 43.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.476 ' CG2' ' CB ' ' A' ' 87' ' ' ALA . 20.6 t -124.77 116.99 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -103.02 141.57 35.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -62.11 128.67 37.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.757 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.4 mt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.785 0.326 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -98.48 156.95 16.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -132.32 128.06 21.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.544 0.688 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 107.49 1.88 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 16' ' ' GLY . 81.1 mm-40 -82.12 39.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 15' ' ' GLN . . . 37.94 -158.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.513 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 174.22 -156.44 23.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.438 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.6 m -137.96 118.97 14.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.835 0.35 . . . . 0.0 111.175 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.414 HG22 ' N ' ' A' ' 20' ' ' LYS . 12.8 p -115.55 141.88 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.414 ' N ' HG22 ' A' ' 19' ' ' VAL . 1.1 tppp? -74.09 156.04 37.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.7 t -62.59 123.95 16.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.54 -17.17 57.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.47 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -76.08 -176.6 3.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.869 -179.862 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.424 ' CG ' ' HA ' ' A' ' 80' ' ' ILE . 3.4 m-20 -131.16 132.38 44.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.429 ' CG1' ' N ' ' A' ' 26' ' ' THR . 10.4 tt -129.16 157.63 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.429 ' N ' ' CG1' ' A' ' 25' ' ' ILE . 5.2 m -138.06 138.08 38.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.57 ' CE1' ' HE3' ' A' ' 77' ' ' MET . 51.2 m-85 -108.17 145.21 34.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.836 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 36.6 mm -103.41 147.33 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -159.61 115.18 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -109.61 148.35 31.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.4 t -134.55 138.65 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.6 tptt -76.63 132.91 39.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -132.6 155.57 48.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -127.88 -45.15 1.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -97.94 117.43 32.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.0 mt -56.89 -46.19 82.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 mt -54.6 -42.54 71.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.8 mmp_? -76.03 124.03 26.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -125.87 116.92 24.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.552 0.691 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 162.47 41.96 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.697 2.265 . . . . 0.0 112.36 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.1 m -120.54 140.44 51.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.491 HG21 ' CG ' ' A' ' 75' ' ' PHE . 17.1 tt -119.59 131.23 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.418 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 3.3 tppt? -130.3 115.85 17.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -84.67 135.25 34.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.418 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 52.1 m-85 -129.5 155.95 44.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.48 ' HB2' ' CD2' ' A' ' 52' ' ' LEU . 3.2 tttt -140.14 162.54 35.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.48 -127.25 43.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.502 ' HG2' ' CE2' ' A' ' 49' ' ' TRP . 19.7 ttmt -104.07 -58.4 1.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.328 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.502 ' CE2' ' HG2' ' A' ' 48' ' ' LYS . 5.2 m95 -127.91 19.31 6.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.5 ' CE ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -77.74 129.09 35.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.492 ' N ' ' SD ' ' A' ' 50' ' ' MET . 23.5 t70 -107.39 112.38 25.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.5 HD23 ' CE ' ' A' ' 50' ' ' MET . 15.8 mt -65.06 -32.38 74.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.6 -34.33 11.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.4 t -77.14 -31.17 55.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm -72.09 -26.13 62.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.47 114.67 2.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.28 -76.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -120.2 -38.75 2.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.771 0.32 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 80' ' ' ILE . 85.5 m-70 -81.3 -35.06 31.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.83 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.466 HD22 ' CD2' ' A' ' 62' ' ' LEU . 5.2 tt -127.67 142.0 51.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -140.12 117.18 11.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.466 ' CD2' HD22 ' A' ' 60' ' ' LEU . 14.3 mt -83.38 164.9 19.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -137.87 154.53 49.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -152.69 132.62 13.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.448 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 4.7 t -147.78 159.1 44.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -129.69 151.02 50.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -129.04 96.25 4.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -24.85 67.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -50.66 -43.56 57.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.6 m -122.31 7.2 9.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.7 mtm-85 56.7 37.18 28.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 86.8 t -119.84 136.36 57.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -93.53 153.63 18.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.448 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 58.9 m -137.37 108.94 6.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.15 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.491 ' CG ' HG21 ' A' ' 42' ' ' ILE . 16.2 m-85 -107.9 133.92 51.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -121.53 167.73 12.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.57 ' HE3' ' CE1' ' A' ' 27' ' ' PHE . 9.9 tmm? -140.01 106.2 5.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -93.24 133.16 36.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.513 ' CG1' ' SD ' ' A' ' 77' ' ' MET . 2.0 mt -121.82 107.27 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 59' ' ' HIS . 1.6 mp -92.75 131.82 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.8 mttt 66.37 49.06 1.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.09 105.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.6 mttp -82.32 165.58 20.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -60.68 -15.1 25.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.429 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 4.4 m120 -84.98 -5.22 59.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -86.98 -11.38 50.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -82.93 112.34 19.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -178.35 -149.15 7.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.522 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -105.83 118.7 37.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.569 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 8.9 m-85 -98.14 168.63 10.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -148.59 139.14 22.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 47.0 t -116.99 126.34 52.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.437 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 14.7 mp0 -123.36 122.96 39.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 62.6 t -139.28 119.63 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.8 m -103.72 157.36 17.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 6.2 t80 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.945 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 11.0 t80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.879 0.371 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -144.91 133.92 22.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.4 p -118.44 140.75 49.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 18.9 p -133.76 139.31 46.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 90.3 p -112.9 140.26 47.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 90' ' ' TYR . 2.0 p90 -124.11 -177.45 3.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.87 126.18 44.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -115.13 127.12 55.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -110.45 157.0 20.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.57 121.81 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -103.29 146.13 28.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -67.81 123.07 19.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 31.0 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.848 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.0 mm . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.773 0.32 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -99.04 157.1 16.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -126.65 143.17 45.5 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.578 0.704 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 97.64 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.643 2.228 . . . . 0.0 112.363 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -73.63 108.61 6.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.88 169.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.47 -162.64 13.14 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.428 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 m -131.18 113.76 14.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.827 0.346 . . . . 0.0 111.15 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.0 p -109.36 139.66 31.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.427 ' HB3' ' CD ' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -73.6 149.61 41.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.7 t -59.04 119.0 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.34 -17.03 57.44 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.416 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.501 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 0.9 OUTLIER -78.89 -177.56 5.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -179.873 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.64 130.28 48.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.858 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.8 tt -129.85 152.68 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.5 m -137.91 141.23 40.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.572 ' CE2' ' HE2' ' A' ' 77' ' ' MET . 70.8 m-85 -110.17 141.92 42.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 33.9 mm -101.61 135.89 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -147.05 113.34 5.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -108.04 151.4 25.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.2 t -137.98 137.28 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -75.94 127.11 32.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -124.28 164.26 19.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -128.93 -45.47 1.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -96.75 124.16 40.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.4 mt -59.4 -44.76 92.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mt -60.7 -54.56 43.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.8 mmp_? -56.7 124.36 18.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.431 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 29.6 ttmt -127.54 119.29 21.6 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.568 0.699 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 172.24 13.01 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.713 2.275 . . . . 0.0 112.33 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.2 m -129.32 131.49 46.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.119 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.492 HG22 ' CG ' ' A' ' 75' ' ' PHE . 6.9 tt -114.2 123.9 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.139 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -119.64 118.05 29.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -85.74 147.24 26.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 91' ' ' ARG . 55.3 m-85 -142.24 160.63 39.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.848 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.47 ' HD3' ' N ' ' A' ' 47' ' ' GLY . 13.1 tmtt? -146.35 145.56 30.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.47 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 69.07 -133.56 26.63 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.468 ' HD3' ' NE1' ' A' ' 49' ' ' TRP . 0.1 OUTLIER -103.86 -51.17 3.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.759 0.314 . . . . 0.0 110.885 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.468 ' NE1' ' HD3' ' A' ' 48' ' ' LYS . 15.1 m95 -115.06 -33.83 5.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.8 ttp -44.14 121.8 2.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -113.45 112.94 24.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.823 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.457 ' CD2' ' HB2' ' A' ' 46' ' ' LYS . 36.2 mt -56.55 -38.58 72.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -45.11 -46.96 12.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.4 t -74.68 -28.23 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -71.49 -29.49 64.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.441 ' N ' HD21 ' A' ' 60' ' ' LEU . . . -56.33 122.41 11.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -179.71 -53.41 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.437 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -129.06 -72.07 0.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 80' ' ' ILE . 94.9 m-70 -65.32 -15.27 62.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.469 ' CD1' HG12 ' A' ' 79' ' ' ILE . 4.5 tp -133.63 144.53 49.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.414 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 9.3 mm-40 -148.51 122.82 9.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.471 ' CD2' ' HG2' ' A' ' 77' ' ' MET . 16.2 mt -91.34 164.57 13.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -139.06 153.05 48.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -152.53 136.01 15.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.465 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 6.6 t -144.88 165.72 27.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.135 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.508 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 47.2 t80 -132.97 140.81 47.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -125.05 94.22 4.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -27.93 69.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -44.27 -49.31 9.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.0 m -120.65 8.31 10.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.5 mtt85 56.8 51.67 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.928 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 52.3 t -130.09 129.82 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.508 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 70.8 m-85 -93.35 135.31 34.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.465 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 91.3 m -121.39 116.3 24.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.168 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.492 ' CG ' HG22 ' A' ' 42' ' ' ILE . 15.1 m-85 -115.16 128.37 56.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -115.35 168.6 9.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.572 ' HE2' ' CE2' ' A' ' 27' ' ' PHE . 12.0 tmm? -141.53 105.05 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -87.43 139.87 30.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.51 ' CG1' ' SD ' ' A' ' 77' ' ' MET . 2.2 mt -127.27 100.15 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.405 ' O ' ' O ' ' A' ' 59' ' ' HIS . 1.2 mp -86.87 143.23 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.8 mttm 49.67 48.79 21.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.74 117.89 2.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.2 mttm -93.18 166.78 12.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.59 -25.15 59.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -72.5 -16.37 61.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.408 ' CE2' HG21 ' A' ' 79' ' ' ILE . 3.5 m-85 -78.07 -9.16 59.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.06 122.59 31.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 163.49 -152.68 22.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -92.0 128.12 37.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -108.95 136.24 48.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 45' ' ' PHE . 5.8 ttt180 -128.42 139.17 52.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 41.8 t -129.2 159.1 37.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -148.39 119.25 7.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 73.3 t -126.84 110.18 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.2 m -102.67 127.6 49.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.8 t80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 102' ' ' SER . 1.7 t80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.898 0.38 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -116.38 153.21 32.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.492 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 79.4 p -148.64 134.51 19.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 11.2 m -152.59 135.36 15.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 98.8 p -115.63 152.5 33.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.443 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 2.2 p90 -136.93 -175.21 3.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.34 139.72 52.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 108' ' ' GLU . 3.4 tm? -125.44 127.76 47.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.438 ' N ' HD12 ' A' ' 107' ' ' LEU . 21.3 mt-10 -107.99 151.82 25.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 23.5 t -132.08 119.65 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -103.17 143.39 32.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -61.83 127.78 33.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.794 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.7 mm . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.776 0.322 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -99.92 159.12 15.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -128.98 131.05 23.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.583 0.706 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 82.7 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.694 2.263 . . . . 0.0 112.344 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -70.24 102.87 2.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.03 164.7 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.92 -143.97 3.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.495 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 m -142.73 118.91 10.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 111.169 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.8 p -116.19 144.89 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -76.28 153.75 35.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.76 120.4 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.95 -15.92 61.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.465 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.3 179.04 6.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.902 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -126.07 122.87 37.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.9 tt -123.09 151.67 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.8 m -134.77 142.16 46.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -110.22 142.39 41.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.3 mm -101.94 138.78 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.3 114.9 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.094 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -115.91 156.23 26.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.429 ' CG1' ' HB2' ' A' ' 73' ' ' TYR . 9.8 p -141.94 138.18 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.143 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -77.41 117.6 19.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -115.16 152.78 31.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -116.69 -47.28 2.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -89.73 160.67 16.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.8 mt -104.53 -41.87 5.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.444 ' N ' HD21 ' A' ' 37' ' ' LEU . 3.1 mm? -56.46 -30.87 63.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -96.55 142.77 28.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -134.07 121.44 15.68 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.557 0.694 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 118.29 5.59 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.655 2.236 . . . . 0.0 112.356 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.4 m -83.07 135.69 34.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.182 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.429 HG22 ' CG ' ' A' ' 75' ' ' PHE . 7.9 tt -115.28 125.41 72.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -120.4 117.41 27.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.938 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -83.94 144.17 29.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.969 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.46 ' CE1' ' OD1' ' A' ' 51' ' ' ASP . 52.2 m-85 -140.05 164.52 29.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HD3' ' N ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER -159.79 145.95 15.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.465 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 76.64 -131.38 11.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -104.31 -53.84 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.409 ' CD1' ' N ' ' A' ' 49' ' ' TRP . 0.8 OUTLIER -122.18 -25.95 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.7 ttp -43.19 129.54 4.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.46 ' OD1' ' CE1' ' A' ' 45' ' ' PHE . 42.0 t0 -117.82 106.63 13.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 35.8 mt -53.42 -32.74 51.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -46.58 -53.74 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.28 -11.96 60.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -83.56 -32.4 25.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.7 114.17 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.091 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 161.37 -34.88 0.39 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -100.94 -72.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.553 ' CE1' ' HD2' ' A' ' 81' ' ' LYS . 84.0 m-70 -112.45 7.05 18.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 tp -131.28 145.64 51.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 78' ' ' GLN . 58.0 mm-40 -149.42 124.16 9.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.2 mt -96.31 165.59 12.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -139.98 149.84 43.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -151.81 129.82 11.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.453 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 13.1 t -144.36 159.2 43.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.569 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 44.4 t80 -125.54 146.58 49.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -129.51 92.23 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -33.46 71.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -39.23 -43.2 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.5 p -123.4 2.36 9.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.6 mtt85 62.2 43.5 8.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 71.5 t -126.86 138.59 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.569 ' CE2' ' HB2' ' A' ' 66' ' ' PHE . 67.3 m-85 -98.22 145.69 26.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.453 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 11.0 m -127.41 107.87 10.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 73' ' ' TYR . 9.0 m-85 -109.52 124.67 51.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -113.71 165.33 12.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 35.3 ttp -135.05 100.41 4.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' GLN . 2.4 tt0 -84.53 133.01 34.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.404 HG21 ' CE2' ' A' ' 86' ' ' PHE . 2.2 mt -123.76 103.82 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.415 ' O ' ' O ' ' A' ' 59' ' ' HIS . 1.3 mp -89.51 147.62 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.553 ' HD2' ' CE1' ' A' ' 59' ' ' HIS . 32.2 mttt 44.62 51.41 8.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.12 106.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.414 ' HE2' ' CD2' ' A' ' 59' ' ' HIS . 45.7 mttt -79.73 158.39 26.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.966 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -56.16 -17.59 7.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -80.01 -21.65 43.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.404 ' CE2' HG21 ' A' ' 79' ' ' ILE . 5.0 m-85 -66.28 -5.93 12.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.69 127.59 34.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 166.04 -148.72 14.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -105.73 119.57 39.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -98.71 157.21 16.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -151.64 127.09 10.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 13.2 p -112.26 146.82 37.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -128.07 120.2 26.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.411 ' CG1' ' HB2' ' A' ' 101' ' ' ASP . 9.6 p -116.71 107.54 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.2 p -97.65 157.19 16.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 5.3 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.866 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.8 t80 . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.87 0.367 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.411 ' HB2' ' CG1' ' A' ' 94' ' ' VAL . 32.3 m-20 -129.97 157.22 42.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 55.4 p -143.78 123.02 12.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 62.4 m -123.94 162.42 23.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 90.4 p -139.73 139.41 36.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.581 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 0.1 OUTLIER -133.18 162.27 32.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -111.69 124.73 52.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.416 ' C ' ' CD1' ' A' ' 107' ' ' LEU . 3.2 tm? -110.36 129.47 55.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -109.28 151.02 27.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 39.7 t -130.06 117.99 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -103.26 144.7 31.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -63.83 130.26 43.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.811 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.498 ' CG2' ' N ' ' A' ' 12' ' ' GLU . 2.2 tp . . . . . 0 N--CA 1.458 -0.043 0 CA-C-O 120.789 0.328 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.498 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 0.4 OUTLIER -89.68 144.54 25.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.493 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 13.2 mmmt -128.5 114.94 19.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.606 0.717 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 97.43 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.311 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' A' ' 13' ' ' LYS . 19.0 mp0 -78.93 115.5 18.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.0 159.77 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.11 -157.69 7.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 m -137.41 114.82 11.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 111.088 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.438 HG13 ' CB ' ' A' ' 82' ' ' ALA . 11.8 p -111.51 142.99 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.423 ' N ' HG23 ' A' ' 19' ' ' VAL . 2.5 tppp? -76.28 150.69 36.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.0 t -59.48 114.88 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.149 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.24 -11.12 60.11 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -81.93 177.25 8.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -122.63 119.78 31.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.504 HD11 ' CZ ' ' A' ' 27' ' ' PHE . 10.7 tt -116.46 153.96 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 m -136.39 132.58 35.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.504 ' CZ ' HD11 ' A' ' 25' ' ' ILE . 86.1 m-85 -109.23 133.43 53.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.6 mm -91.91 127.84 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.34 112.03 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.425 ' HG3' ' CG1' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -128.09 156.48 42.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.3 p -121.86 147.34 25.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -78.86 111.91 15.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -109.6 153.28 24.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -124.18 -47.63 1.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -85.72 140.28 30.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.8 mt -82.08 -50.35 9.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 mt -47.75 -41.37 23.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -83.38 154.43 24.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -146.58 119.88 5.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.534 ' HD2' ' CE1' ' A' ' 73' ' ' TYR . 54.0 Cg_endo -69.73 166.0 29.02 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.8 m -138.34 133.95 33.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.2 tt -104.2 153.65 6.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.544 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -143.56 123.29 13.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -97.72 131.07 44.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.961 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.544 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 54.1 m-85 -126.59 157.47 38.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.559 ' HD3' ' CE1' ' A' ' 90' ' ' TYR . 22.0 tptm -135.95 147.08 47.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.92 -131.3 42.94 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 tttt -103.85 -49.48 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.747 0.308 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 19.3 m95 -116.51 -35.04 4.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.434 ' CE ' HD23 ' A' ' 52' ' ' LEU . 2.1 ttp -42.3 113.9 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -104.13 118.21 36.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.507 HD13 ' CE2' ' A' ' 90' ' ' TYR . 38.5 mt -65.3 -41.49 94.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -42.78 -34.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.0 t -85.34 -29.7 24.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' LEU . 65.7 mmtt -71.58 -28.62 63.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.36 109.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -157.88 -62.26 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.518 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -126.11 -58.4 1.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.334 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 80' ' ' ILE . 87.2 m-70 -71.02 -18.67 62.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.472 ' CD1' HG12 ' A' ' 79' ' ' ILE . 4.2 tp -132.61 145.65 51.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -148.55 124.52 10.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.5 mt -93.15 158.12 15.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -135.21 147.3 49.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -149.99 132.85 16.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.459 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 11.2 t -146.37 152.78 39.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.554 ' HB2' ' CD2' ' A' ' 73' ' ' TYR . 31.8 t80 -119.57 139.57 51.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -121.86 88.68 2.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -53.61 -27.45 26.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -52.79 -34.55 53.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.802 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.3 m -124.61 -6.48 7.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.823 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 64.67 47.44 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.425 ' CG1' ' HG3' ' A' ' 30' ' ' LYS . 87.4 t -139.04 131.03 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.076 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.554 ' CD2' ' HB2' ' A' ' 66' ' ' PHE . 34.8 m-85 -89.63 121.24 31.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.459 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 34.7 m -97.48 103.92 15.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.545 ' CE1' ' HB3' ' A' ' 73' ' ' TYR . 14.7 m-85 -100.78 136.52 40.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -126.94 166.81 16.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 48.1 ttp -134.94 99.04 4.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.32 111.21 20.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.472 HG12 ' CD1' ' A' ' 60' ' ' LEU . 2.7 mt -103.03 108.03 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 59' ' ' HIS . 1.3 mp -92.92 147.44 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.5 mttt 44.63 52.07 7.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.438 ' CB ' HG13 ' A' ' 19' ' ' VAL . . . -56.23 124.42 17.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.065 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -99.6 175.96 5.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.13 -7.7 13.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -90.25 -15.57 31.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.43 ' CD2' HG21 ' A' ' 79' ' ' ILE . 3.0 m-85 -81.15 -6.42 58.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.468 ' HB2' ' N ' ' A' ' 109' ' ' VAL . . . -98.13 113.14 24.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 179.31 -136.56 2.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.512 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -109.95 115.09 29.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.559 ' CE1' ' HD3' ' A' ' 46' ' ' LYS . 7.1 m-85 -95.88 151.82 19.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.466 ' NH1' ' CB ' ' A' ' 104' ' ' SER . 0.1 OUTLIER -137.63 121.35 17.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 36.9 t -111.28 138.67 47.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -139.04 123.04 17.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.1 p -129.26 106.32 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 m -93.17 124.57 37.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 9.6 t80 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.911 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.4 t80 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.882 0.372 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -117.4 153.81 32.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.0 t -147.73 158.28 43.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 30.3 p -155.95 161.86 40.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.466 ' CB ' ' NH1' ' A' ' 91' ' ' ARG . 91.2 p -139.96 157.11 46.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.537 ' CD2' ' HB2' ' A' ' 90' ' ' TYR . 1.0 OUTLIER -156.25 -178.09 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -131.08 134.6 46.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.469 ' CD2' ' N ' ' A' ' 108' ' ' GLU . 2.7 tt -113.61 143.24 44.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.469 ' N ' ' CD2' ' A' ' 107' ' ' LEU . 4.0 mm-40 -119.39 153.15 35.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.468 ' N ' ' HB2' ' A' ' 87' ' ' ALA . 66.2 t -134.71 121.83 36.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.173 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -103.34 144.43 31.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -63.78 127.82 33.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.5 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.806 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.419 HG21 ' N ' ' A' ' 12' ' ' GLU . 7.9 tt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.807 0.337 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.419 ' N ' HG21 ' A' ' 11' ' ' ILE . 6.1 tp10 -114.75 155.56 26.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -143.99 140.18 16.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.618 0.723 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 118.37 5.64 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.716 2.278 . . . . 0.0 112.317 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -89.98 20.49 4.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 41.94 -160.78 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 172.04 -151.04 13.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.1 m -141.1 118.84 11.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 111.161 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.405 HG22 ' N ' ' A' ' 20' ' ' LYS . 11.9 p -112.35 139.28 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.156 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' N ' HG22 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -74.3 154.38 38.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.5 t -61.46 119.58 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.91 -17.26 59.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.9 -175.43 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -131.75 122.15 25.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.6 tt -121.29 153.5 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 m -135.26 129.34 33.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.529 ' CD1' ' HE3' ' A' ' 77' ' ' MET . 44.1 m-85 -98.8 151.86 20.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 29' ' ' ALA . 35.3 mm -115.13 135.73 54.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.455 ' N ' HG22 ' A' ' 28' ' ' ILE . . . -158.68 113.43 2.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -113.16 169.73 8.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.453 HG22 ' N ' ' A' ' 32' ' ' LYS . 10.4 p -143.0 140.46 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.453 ' N ' HG22 ' A' ' 31' ' ' VAL . 10.0 tptt -75.89 118.8 19.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.53 159.2 23.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -123.31 -47.75 1.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.45 159.82 17.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.6 mt -105.06 -44.64 4.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -50.08 -40.52 45.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.1 mmt-85 -87.95 151.53 22.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.435 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 31.4 ttmt -144.23 122.01 6.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.553 0.692 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 173.85 10.41 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.637 2.224 . . . . 0.0 112.365 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.0 m -136.69 139.73 42.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.149 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.8 tt -115.4 128.16 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.576 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 2.9 tppp? -121.32 116.54 25.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.604 ' CE3' ' SG ' ' A' ' 92' ' ' CYS . 57.5 m95 -86.11 132.2 34.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.576 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 49.4 m-85 -126.81 149.41 49.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.531 ' HD3' ' CE1' ' A' ' 90' ' ' TYR . 20.0 tptp -125.52 142.46 51.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.97 -130.98 39.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.504 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.45 ' HG2' ' CD1' ' A' ' 49' ' ' TRP . 12.2 ttpt -104.35 -52.78 2.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.45 ' CD1' ' HG2' ' A' ' 48' ' ' LYS . 16.7 m95 -109.47 -37.5 5.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -42.48 116.59 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -108.76 116.49 32.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.523 HD11 ' CE2' ' A' ' 90' ' ' TYR . 54.8 mt -62.05 -43.27 99.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.432 ' CB ' ' HD2' ' A' ' 43' ' ' LYS . . . -41.95 -34.69 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.0 t -85.85 -27.32 25.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 52' ' ' LEU . 35.2 mmtm -75.26 -29.76 60.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.54 110.43 0.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -153.74 -62.25 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.521 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm -131.05 -50.32 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -74.04 -23.88 59.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.431 ' CD1' HG12 ' A' ' 79' ' ' ILE . 3.3 tp -127.47 146.47 50.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.413 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 35.7 mm-40 -149.08 126.41 11.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.2 mt -94.54 165.46 12.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -141.06 145.98 36.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -152.01 126.93 9.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.469 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 15.3 t -141.2 163.92 31.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.562 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 28.0 t80 -127.87 143.26 51.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -122.23 92.86 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -26.52 66.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -54.56 -36.25 64.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 t -123.23 -1.56 8.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 62.51 35.05 14.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.47 HG12 ' N ' ' A' ' 73' ' ' TYR . 81.3 t -126.03 140.62 48.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 66' ' ' PHE . 58.7 m-85 -96.06 148.99 22.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.469 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 28.6 m -124.06 103.85 8.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -100.08 135.53 41.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -132.22 164.48 26.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.529 ' HE3' ' CD1' ' A' ' 27' ' ' PHE . 43.1 ttp -134.97 99.1 4.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -85.13 108.33 17.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.431 HG12 ' CD1' ' A' ' 60' ' ' LEU . 2.4 mt -100.67 114.42 39.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.4 mp -99.47 137.62 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 47.2 mttt 55.42 49.08 17.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.36 113.38 0.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -90.01 167.77 12.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.26 -16.77 15.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -80.53 -15.09 57.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -81.08 -11.26 59.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.04 128.68 34.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.059 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 159.19 -139.76 6.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -111.62 129.12 56.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.594 ' CB ' ' CZ ' ' A' ' 105' ' ' PHE . 5.3 m-85 -106.57 162.67 13.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -148.15 127.96 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.604 ' SG ' ' CE3' ' A' ' 44' ' ' TRP . 10.6 m -116.11 150.01 38.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -144.25 121.32 11.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.8 t -124.09 107.97 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.7 m -100.33 109.09 21.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 11.2 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.926 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.894 0.378 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -125.81 146.77 49.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.8 p -138.27 164.73 28.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 14.8 p -158.27 164.1 36.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 60.7 p -137.3 147.11 45.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.594 ' CZ ' ' CB ' ' A' ' 90' ' ' TYR . 41.0 p90 -134.91 -175.02 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.846 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -128.07 133.39 49.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -121.62 132.58 54.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -115.21 153.9 30.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 39.5 t -133.45 118.75 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -103.0 142.73 33.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.825 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -60.52 129.91 43.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 44.8 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.8 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 12' ' ' GLU . 2.2 tp . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.819 0.342 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.465 ' N ' HG22 ' A' ' 11' ' ' ILE . 7.3 tp10 -114.97 158.67 21.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -140.07 130.93 14.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 113.53 3.41 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.376 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -87.24 27.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 37.89 -157.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 171.18 -156.4 26.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.474 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.426 HG21 ' C ' ' A' ' 108' ' ' GLU . 7.1 m -138.95 115.62 10.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 0.0 111.151 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.442 HG23 ' N ' ' A' ' 20' ' ' LYS . 12.1 p -110.25 141.72 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.442 ' N ' HG23 ' A' ' 19' ' ' VAL . 0.7 OUTLIER -73.97 152.41 40.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.901 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.402 HG22 ' CG1' ' A' ' 109' ' ' VAL . 70.2 t -60.13 119.72 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.24 -17.39 59.21 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 1.6 mp0 -77.29 179.44 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.866 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -125.34 126.87 45.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.2 tt -122.97 155.56 28.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 m -138.66 137.24 36.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -108.78 146.76 33.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.8 mm -110.31 130.99 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.144 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.84 113.0 4.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -110.73 160.73 16.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.7 t -136.88 134.64 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -76.67 114.73 15.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -122.21 144.71 48.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.441 ' O ' ' CD ' ' A' ' 71' ' ' ARG . 36.3 mt-10 -109.52 -51.12 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -83.89 161.97 20.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.8 mt -104.31 -39.97 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -48.78 -44.84 39.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -84.67 136.21 33.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.493 ' HG2' ' CE2' ' A' ' 73' ' ' TYR . 0.5 OUTLIER -120.29 118.56 31.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 110.893 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.495 ' HD2' ' CZ ' ' A' ' 73' ' ' TYR . 53.3 Cg_endo -69.77 105.37 1.47 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.283 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.43 ' C ' HG23 ' A' ' 94' ' ' VAL . 9.5 m -85.03 129.01 34.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.514 HG22 ' CG ' ' A' ' 75' ' ' PHE . 6.6 tt -108.22 145.95 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -138.2 116.99 12.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 55.1 m95 -83.82 134.93 34.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.956 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -127.5 165.64 19.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.03 153.96 38.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.03 -131.93 36.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.534 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 49' ' ' TRP . 12.9 mmtm -104.46 -51.9 3.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.75 0.309 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.566 ' CD1' ' HB3' ' A' ' 48' ' ' LYS . 1.1 m95 -133.48 38.19 3.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.7 ttp -98.96 134.42 41.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -110.12 116.29 31.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.0 mt -73.34 -40.02 64.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -41.01 -43.1 2.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.9 t -75.06 -36.96 61.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.9 mmtt -65.39 -33.15 75.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.38 107.8 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -146.41 -67.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.527 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.4 mtmm -126.16 -56.08 1.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.405 ' O ' ' N ' ' A' ' 80' ' ' ILE . 94.8 m-70 -66.18 -31.6 72.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.876 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.474 ' CD1' HG12 ' A' ' 79' ' ' ILE . 3.0 tp -119.78 146.31 45.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.412 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 41.5 mm-40 -149.74 126.81 11.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.453 ' CD2' ' HG3' ' A' ' 77' ' ' MET . 23.6 mt -93.6 162.92 13.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.8 tttm -136.5 146.77 46.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -151.46 131.14 13.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.47 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 7.0 t -146.32 149.83 34.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.667 ' CE1' ' CE1' ' A' ' 73' ' ' TYR . 66.2 t80 -120.37 144.5 47.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -129.84 88.95 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -50.33 -36.39 31.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.812 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 68' ' ' ARG . 1.5 m-70 -34.73 -63.23 0.32 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.3 p -102.29 -1.51 30.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.441 ' CD ' ' O ' ' A' ' 34' ' ' GLU . 17.0 mtt85 64.15 37.43 8.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 90.0 t -120.94 131.26 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.667 ' CE1' ' CE1' ' A' ' 66' ' ' PHE . 29.1 m-85 -89.65 140.62 29.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.47 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 17.8 m -121.92 110.14 15.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.127 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.514 ' CG ' HG22 ' A' ' 42' ' ' ILE . 25.7 m-85 -111.45 136.4 50.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.454 ' OE2' ' C ' ' A' ' 75' ' ' PHE . 1.6 mp0 -130.5 167.69 18.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.453 ' HG3' ' CD2' ' A' ' 62' ' ' LEU . 44.7 ttp -134.99 101.8 5.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -87.5 110.47 20.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.474 HG12 ' CD1' ' A' ' 60' ' ' LEU . 3.2 mt -102.32 114.7 42.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 59' ' ' HIS . 2.3 mp -100.34 135.59 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 53.2 mttt 57.9 48.42 13.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.05 111.96 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.067 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -87.52 160.92 18.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -55.29 -20.87 12.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -74.67 -22.4 58.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -70.9 -18.02 62.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.36 110.29 8.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 179.06 -159.35 24.14 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.452 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -85.87 133.15 33.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 13.0 m-85 -119.58 124.7 47.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -114.85 120.99 41.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 32.1 p -105.24 129.3 53.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -134.23 117.37 16.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.43 HG23 ' C ' ' A' ' 41' ' ' THR . 2.9 p -135.67 112.16 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.518 ' HA ' ' CB ' ' A' ' 100' ' ' PHE . 31.3 m -93.47 155.53 17.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 15.5 t80 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.911 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.518 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 11.3 p90 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.821 0.343 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -134.86 114.69 12.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.8 p -104.66 170.47 7.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 2.0 t -148.02 176.81 9.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 84.2 p -141.81 137.51 31.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 90' ' ' TYR . 5.0 p90 -137.8 154.13 49.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -106.24 131.65 53.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.453 HD13 ' N ' ' A' ' 108' ' ' GLU . 3.3 tm? -108.99 125.69 52.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.453 ' N ' HD13 ' A' ' 107' ' ' LEU . 37.0 mt-10 -105.02 152.7 22.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.402 ' CG1' HG22 ' A' ' 21' ' ' VAL . 36.7 t -134.56 120.55 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.142 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -103.27 146.55 28.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.74 125.36 25.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.9 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.822 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.466 HD12 ' CD ' ' A' ' 32' ' ' LYS . 22.1 mm . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.796 0.331 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -101.88 148.1 25.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -125.38 128.41 24.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.558 0.694 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 106.93 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.348 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' GLY . 76.2 mm-40 -83.71 38.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' GLN . . . 37.08 -156.39 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 173.43 -150.13 11.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.2 m -142.54 114.3 8.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.853 0.359 . . . . 0.0 111.119 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.422 HG23 ' N ' ' A' ' 20' ' ' LYS . 13.9 p -113.52 141.88 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.422 ' N ' HG23 ' A' ' 19' ' ' VAL . 5.2 tppt? -73.59 153.26 40.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.75 116.43 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.15 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.55 -6.62 61.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -85.53 -176.26 6.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.37 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -126.59 128.49 46.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.3 tt -127.13 157.61 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.8 m -137.94 138.79 39.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.572 ' CE2' ' HE3' ' A' ' 77' ' ' MET . 61.4 m-85 -110.55 140.19 45.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.9 mm -101.98 142.05 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -157.99 112.94 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 mtmm -112.09 153.17 27.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.3 t -137.73 136.93 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.466 ' CD ' HD12 ' A' ' 11' ' ' ILE . 3.3 tptm -76.35 119.82 20.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.14 145.12 44.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.45 ' O ' ' NH1' ' A' ' 71' ' ' ARG . 55.2 mt-10 -105.77 -39.46 6.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -100.27 152.35 20.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 mt -111.45 4.19 18.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.5 mt -89.04 -27.96 20.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -103.79 178.52 4.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -148.59 121.56 4.57 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.56 0.695 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 120.53 7.3 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.379 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.8 m -79.92 138.65 37.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.524 HG22 ' CG ' ' A' ' 75' ' ' PHE . 17.2 tt -128.2 124.0 61.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.467 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 1.6 tppt? -121.32 126.66 50.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -94.15 130.07 40.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.467 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 48.2 m-85 -125.5 146.4 49.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.564 ' HD3' ' CE1' ' A' ' 90' ' ' TYR . 25.2 tptp -122.29 148.95 44.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.85 -130.83 51.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.46 ' HD2' ' NE1' ' A' ' 49' ' ' TRP . 8.5 tmtm? -104.67 -55.8 2.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.757 0.313 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.46 ' NE1' ' HD2' ' A' ' 48' ' ' LYS . 12.7 m95 -103.1 -35.64 8.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.543 ' CE ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -41.97 127.31 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.44 ' OD2' ' CE1' ' A' ' 45' ' ' PHE . 56.9 t0 -121.66 109.79 15.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.543 ' CD2' ' CE ' ' A' ' 50' ' ' MET . 14.4 mt -60.36 -35.14 74.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.447 ' CB ' ' HD2' ' A' ' 43' ' ' LYS . . . -44.69 -46.55 10.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.2 t -79.25 -32.29 43.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.4 -24.59 67.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.407 ' N ' HD23 ' A' ' 60' ' ' LEU . . . -57.54 113.82 1.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.22 -79.16 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -117.62 -37.24 3.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 80' ' ' ILE . 76.7 m-70 -90.63 -7.36 52.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.462 ' CD1' HG12 ' A' ' 79' ' ' ILE . 4.4 tp -145.97 147.6 31.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.429 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 7.5 mm-40 -148.15 124.66 11.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.3 mt -93.0 150.89 20.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -128.92 153.27 47.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -152.77 132.89 13.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.469 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 7.3 t -148.52 153.29 38.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.571 ' CE1' ' CE1' ' A' ' 73' ' ' TYR . 41.5 t80 -123.77 145.93 48.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -130.15 91.73 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -32.89 72.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -44.26 -39.73 4.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.72 6.44 9.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.816 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.45 ' NH1' ' O ' ' A' ' 34' ' ' GLU . 12.8 mtm180 52.95 50.88 16.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 78.5 t -140.17 129.99 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.09 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.571 ' CE1' ' CE1' ' A' ' 66' ' ' PHE . 48.2 m-85 -89.83 144.74 25.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.469 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 85.8 m -127.01 108.6 11.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.524 ' CG ' HG22 ' A' ' 42' ' ' ILE . 50.3 m-85 -108.17 126.36 52.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -114.81 168.4 9.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.572 ' HE3' ' CE2' ' A' ' 27' ' ' PHE . 10.3 tmm? -141.25 105.27 4.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -86.52 138.18 31.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.503 ' CG1' ' SD ' ' A' ' 77' ' ' MET . 2.3 mt -125.78 102.88 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -91.08 135.72 26.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 36.3 mttt 57.27 48.16 15.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.17 118.69 3.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.053 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -94.55 164.64 12.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.98 -29.85 31.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -68.23 -23.72 64.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -72.57 1.0 9.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.38 152.55 18.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.105 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.69 -133.71 6.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.445 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -116.01 130.4 56.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.886 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 6.8 m-85 -101.8 170.12 8.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -153.65 121.7 6.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 20.1 t -108.73 126.06 52.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -115.83 118.65 33.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.1 p -123.5 109.34 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.9 m -102.72 136.32 42.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.133 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 4.7 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.447 ' CE1' ' OG ' ' A' ' 102' ' ' SER . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -110.57 155.9 21.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.447 ' OG ' ' CE1' ' A' ' 100' ' ' PHE . 34.3 m -149.24 128.21 12.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.2 m -127.27 171.63 11.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 85.4 p -141.77 161.22 38.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 90' ' ' TYR . 2.3 p90 -146.12 -176.92 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -124.73 138.31 54.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.417 HD11 ' C ' ' A' ' 107' ' ' LEU . 2.9 tm? -126.0 129.27 48.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -110.89 147.51 34.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.19 120.81 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.067 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -103.13 153.18 20.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -73.28 125.3 27.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.9 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.769 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 12' ' ' GLU . 2.3 tp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.82 0.343 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.47 ' N ' HG22 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -95.96 146.03 24.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.468 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 33.7 mttt -120.5 108.28 37.79 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.711 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 85.97 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.656 2.238 . . . . 0.0 112.362 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -68.5 105.77 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.47 156.42 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.468 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -134.35 -141.02 4.39 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.441 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 m -139.65 115.53 10.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 111.117 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.6 p -116.46 142.29 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' CB ' ' OE1' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -74.38 153.68 39.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.4 t -62.38 119.87 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.48 -13.8 62.55 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.442 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.405 ' OE1' ' CB ' ' A' ' 20' ' ' LYS . 12.3 mt-10 -77.11 -177.33 4.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -129.44 117.59 20.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.3 tt -117.9 154.61 19.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.6 m -139.27 143.5 37.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -115.07 145.77 41.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.4 mm -107.26 132.17 55.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.2 113.28 4.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.07 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -113.06 154.39 26.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.7 t -123.99 141.46 44.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -75.89 117.65 17.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -120.25 151.99 38.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -120.36 -48.48 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.57 168.05 11.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.0 mt -111.58 -29.98 7.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.56 -37.75 76.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -91.06 152.3 20.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -142.68 115.7 6.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.518 ' HD2' ' CZ ' ' A' ' 73' ' ' TYR . 53.1 Cg_endo -69.84 166.06 28.98 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.319 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.2 m -135.95 134.99 39.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.512 HG23 ' CG ' ' A' ' 75' ' ' PHE . 19.3 tt -111.12 127.3 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.437 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 7.3 tppt? -117.0 120.44 38.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.521 ' CE3' ' SD ' ' A' ' 77' ' ' MET . 29.2 m95 -90.25 129.46 36.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.437 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 48.5 m-85 -123.54 146.97 47.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 47' ' ' GLY . 25.4 tptp -123.52 153.96 39.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.829 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.462 ' N ' ' HG3' ' A' ' 46' ' ' LYS . . . 62.67 -125.45 35.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -104.08 -52.87 2.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.713 0.292 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -134.33 36.89 3.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.454 ' CB ' ' O ' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -92.16 127.77 37.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.85 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -103.2 108.95 20.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.435 HD23 ' CB ' ' A' ' 46' ' ' LYS . 20.1 mt -72.57 -27.86 62.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -45.43 -57.92 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.49 -27.22 65.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.437 ' CE ' ' SD ' ' A' ' 50' ' ' MET . 35.9 mmtt -71.87 -29.67 64.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.3 109.72 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.489 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . -147.34 -73.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -117.23 -57.21 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' A' ' 80' ' ' ILE . 87.9 m-70 -65.49 -34.58 78.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.469 ' CD1' HG12 ' A' ' 79' ' ' ILE . 3.4 tp -119.17 146.22 45.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 23.6 mm-40 -148.74 125.65 11.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.1 mt -96.29 154.47 17.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.42 ' HE3' ' CD ' ' A' ' 76' ' ' GLU . 13.1 ttpp -130.23 147.88 52.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -152.5 131.19 12.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.476 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 11.4 t -147.94 166.33 28.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.14 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.406 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 68.6 t80 -136.95 145.8 44.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -127.95 101.46 6.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -26.65 68.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -50.74 -39.24 51.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 t -119.71 -1.91 10.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.1 mtt85 59.67 45.42 13.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 73' ' ' TYR . 91.8 t -136.49 136.7 48.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.518 ' CZ ' ' HD2' ' A' ' 40' ' ' PRO . 51.0 m-85 -89.83 145.52 25.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.476 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 30.0 m -124.48 103.4 8.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.512 ' CG ' HG23 ' A' ' 42' ' ' ILE . 9.9 m-85 -104.09 138.14 41.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.507 ' N ' ' OE1' ' A' ' 76' ' ' GLU . 15.5 mp0 -131.02 165.65 22.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.521 ' SD ' ' CE3' ' A' ' 44' ' ' TRP . 39.9 ttp -134.96 98.1 3.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -86.23 112.88 21.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.469 HG12 ' CD1' ' A' ' 60' ' ' LEU . 2.8 mt -105.89 111.27 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' ' 59' ' ' HIS . 1.9 mp -98.47 141.05 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.153 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.8 mttm 55.78 45.93 23.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.19 114.57 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -92.54 166.71 12.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.34 -23.67 38.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -73.84 -18.36 60.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -77.75 -15.39 59.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.407 ' CB ' ' CG2' ' A' ' 109' ' ' VAL . . . -82.9 138.24 33.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 152.62 -121.08 1.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -128.63 122.37 30.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 110.838 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.647 ' CB ' ' CE2' ' A' ' 105' ' ' PHE . 20.7 m-85 -97.63 168.75 10.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.1 ttt85 -149.14 157.08 43.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.432 ' HG ' ' N ' ' A' ' 93' ' ' GLU . 2.0 t -142.96 144.48 32.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.432 ' N ' ' HG ' ' A' ' 92' ' ' CYS . 17.1 mp0 -142.86 118.18 10.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.5 p -126.25 128.63 71.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.7 p -111.76 174.47 5.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.16 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 4.4 t80 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.905 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.859 0.361 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -147.88 143.08 27.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.4 p -119.8 153.66 35.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 7.9 t -153.72 144.77 22.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 88.5 p -125.72 153.37 44.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.647 ' CE2' ' CB ' ' A' ' 90' ' ' TYR . 0.7 OUTLIER -139.66 -177.82 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.923 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -127.06 131.19 50.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -117.0 130.39 56.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -107.77 144.33 35.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.407 ' CG2' ' CB ' ' A' ' 87' ' ' ALA . 39.1 t -127.68 120.3 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -103.06 140.93 36.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -61.45 127.8 33.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.783 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.7 mm . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.847 0.356 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.6 147.38 33.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -126.96 133.55 25.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.554 0.692 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 111.55 2.85 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.315 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -90.57 30.31 1.17 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 42.55 -166.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.6 -151.19 10.21 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 m -140.8 120.86 13.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 111.163 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.407 HG21 ' N ' ' A' ' 20' ' ' LYS . 7.7 p -118.85 142.93 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.434 ' CB ' ' OE1' ' A' ' 23' ' ' GLU . 2.4 tppp? -74.28 154.25 39.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.1 t -62.47 117.2 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.05 -4.98 61.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.465 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.434 ' OE1' ' CB ' ' A' ' 20' ' ' LYS . 25.9 mt-10 -86.89 175.92 7.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.866 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -120.56 124.26 44.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.7 tt -123.8 152.04 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.6 m -136.79 131.05 32.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.563 ' CE1' ' HE3' ' A' ' 77' ' ' MET . 32.0 m-85 -101.58 138.96 37.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 32.9 mm -97.87 146.07 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -158.07 113.38 2.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -112.84 154.95 25.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 73' ' ' TYR . 7.2 p -141.92 140.17 30.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -80.36 118.1 21.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -118.69 132.44 56.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -110.71 35.39 3.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -166.21 158.54 14.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.1 mt -116.78 -29.6 6.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.48 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 2.8 mp -59.46 -32.57 70.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -109.41 160.59 16.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.558 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 35.4 ttmt -140.22 126.95 12.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.579 0.704 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 128.35 15.9 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.708 2.272 . . . . 0.0 112.289 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.4 m -92.29 130.16 38.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.2 tt -105.83 150.84 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.142 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.548 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 2.6 tppp? -144.79 116.62 8.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -88.88 141.82 28.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.548 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 66.0 m-85 -135.93 176.5 8.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.486 ' HG3' ' N ' ' A' ' 47' ' ' GLY . 13.2 tttm -166.09 152.56 9.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.486 ' N ' ' HG3' ' A' ' 46' ' ' LYS . . . 68.96 -130.51 24.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.479 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.442 ' HG2' ' NE1' ' A' ' 49' ' ' TRP . 1.2 ttmp? -104.36 -55.26 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.741 0.305 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.442 ' NE1' ' HG2' ' A' ' 48' ' ' LYS . 11.2 m95 -132.87 39.13 3.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.467 ' CE ' ' CD2' ' A' ' 52' ' ' LEU . 6.4 ttp -100.41 124.5 46.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.49 ' OD1' ' CB ' ' A' ' 53' ' ' ALA . 7.2 t70 -103.39 101.14 11.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.467 ' CD2' ' CE ' ' A' ' 50' ' ' MET . 65.0 mt -59.53 -28.99 67.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.49 ' CB ' ' OD1' ' A' ' 51' ' ' ASP . . . -49.18 -57.31 6.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.81 -22.97 63.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -71.47 -32.86 68.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.85 117.19 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.49 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . -151.81 -73.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.452 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -120.26 -54.65 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.479 ' O ' ' N ' ' A' ' 80' ' ' ILE . 97.6 m-70 -69.98 -31.21 68.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.828 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.464 ' CD1' HG12 ' A' ' 79' ' ' ILE . 4.8 tp -117.46 144.23 45.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 44.9 mm-40 -149.01 122.51 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.424 ' CD2' ' HG2' ' A' ' 77' ' ' MET . 13.3 mt -91.49 163.19 14.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.14 149.95 47.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.402 ' C ' ' OE2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -148.77 132.43 16.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.7 t -148.16 158.67 44.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.453 ' HB2' ' CD2' ' A' ' 73' ' ' TYR . 31.8 t80 -129.45 152.82 48.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 71' ' ' ARG . 39.9 mt-10 -130.1 92.72 3.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -41.22 98.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -51.64 -24.53 5.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.4 t -124.23 -5.84 7.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 67' ' ' GLU . 13.9 mtt180 55.89 50.74 13.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 72.4 t -142.14 128.97 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.558 ' CE2' ' HG3' ' A' ' 39' ' ' LYS . 65.1 m-85 -90.24 135.56 33.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.0 m -122.68 115.59 22.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -113.53 128.58 56.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -115.74 167.38 10.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.563 ' HE3' ' CE1' ' A' ' 27' ' ' PHE . 10.4 tmm? -138.3 105.26 5.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -88.3 138.3 31.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.506 ' CG1' ' SD ' ' A' ' 77' ' ' MET . 2.6 mt -127.07 104.1 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 59' ' ' HIS . 1.1 mp -92.28 133.81 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 43.1 mttt 62.0 47.23 5.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.17 109.87 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.068 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -87.65 169.65 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -17.85 35.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -78.04 -16.7 57.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.45 ' CE2' HG22 ' A' ' 79' ' ' ILE . 3.9 m-85 -79.63 -4.73 52.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.62 111.09 22.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -178.92 -126.08 0.98 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.51 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -121.62 126.58 49.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.358 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.57 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 12.3 m-85 -111.11 136.47 50.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -129.1 127.48 41.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 8.4 t -111.95 147.5 35.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -141.42 125.57 17.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.8 p -130.64 107.42 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -97.7 107.37 19.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 11.1 t80 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.912 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.3 t80 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.831 0.348 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -123.91 153.77 40.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.6 p -138.88 158.36 44.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 28.4 p -164.02 143.44 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 t -125.08 160.36 29.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 90' ' ' TYR . 22.9 p90 -153.68 169.95 22.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.841 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -116.86 130.15 56.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -109.54 127.26 54.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -106.01 146.96 29.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.2 t -129.39 119.91 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -103.11 143.75 32.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -64.5 125.57 25.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.773 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.446 HG21 ' N ' ' A' ' 12' ' ' GLU . 2.5 tp . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.746 0.308 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.446 ' N ' HG21 ' A' ' 11' ' ' ILE . 19.6 tp10 -104.55 152.62 22.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -134.57 124.13 16.77 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.576 0.703 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 102.94 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.668 2.245 . . . . 0.0 112.327 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -82.91 108.0 15.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.77 170.21 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -157.56 -154.91 7.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.422 HG21 ' CB ' ' A' ' 108' ' ' GLU . 3.8 m -136.39 117.15 14.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.823 0.344 . . . . 0.0 111.182 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 p -112.58 140.21 33.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.424 ' HB3' ' CD ' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -73.74 153.59 39.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.1 t -61.14 123.0 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.78 -17.17 59.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 2.5 mp0 -78.16 -177.08 4.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.12 140.16 51.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.4 tt -131.89 156.78 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 m -139.66 124.86 18.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -100.79 142.62 32.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.0 mm -99.55 126.99 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.93 111.11 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 ptpp? -132.18 139.92 48.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.5 t -109.48 148.92 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -76.1 123.57 26.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -124.7 159.82 29.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -125.4 -44.78 1.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.06 170.83 10.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.3 mt -110.14 -35.61 6.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -59.53 -38.19 80.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.7 mmt-85 -90.19 125.89 35.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.419 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 4.3 ttpm? -118.3 110.94 38.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.566 0.698 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 108.81 2.16 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.731 2.287 . . . . 0.0 112.341 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.449 HG23 ' N ' ' A' ' 42' ' ' ILE . 98.3 m -85.2 143.7 28.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.488 HG23 ' CG ' ' A' ' 75' ' ' PHE . 17.0 tt -113.61 132.98 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.069 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.578 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 1.5 tppp? -116.62 124.82 50.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.502 ' CE3' ' SD ' ' A' ' 77' ' ' MET . 27.9 m95 -95.42 122.83 38.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.595 ' CE1' ' OD1' ' A' ' 51' ' ' ASP . 64.0 m-85 -119.44 162.53 18.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 47' ' ' GLY . 16.8 tttm -149.28 152.01 35.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.459 ' N ' ' HG3' ' A' ' 46' ' ' LYS . . . 71.24 -132.41 21.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.5 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.5 tttt -104.3 -44.81 4.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.706 0.289 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -127.05 -29.28 2.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.3 ttp -42.28 132.1 3.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.934 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.595 ' OD1' ' CE1' ' A' ' 45' ' ' PHE . 29.6 t0 -117.33 105.47 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.545 HD12 ' CD2' ' A' ' 90' ' ' TYR . 33.2 mt -48.95 -42.92 39.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -42.03 -40.49 2.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.5 t -75.89 -32.76 59.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 52' ' ' LEU . 74.0 mmtt -69.45 -33.13 72.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.15 108.19 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -154.06 -54.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.46 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -133.04 -60.98 0.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.783 0.325 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -67.63 -29.29 68.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.457 ' CD1' HG12 ' A' ' 79' ' ' ILE . 3.8 tp -119.75 144.69 47.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.419 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 36.0 mm-40 -148.92 125.02 10.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.3 mt -91.67 165.2 13.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.17 145.79 41.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -152.44 127.67 9.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.407 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 11.1 t -139.85 167.16 22.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.56 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 73.9 t80 -134.23 144.14 48.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -128.68 93.0 3.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -35.32 33.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -39.31 -59.78 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 60.6 p -102.96 -6.57 22.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 65.64 47.4 2.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.9 t -134.21 132.63 55.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.56 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 26.4 m-85 -89.49 121.62 31.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.949 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.407 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 41.6 m -99.64 106.55 18.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.174 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.504 ' CZ ' ' CB ' ' A' ' 73' ' ' TYR . 6.4 m-85 -103.73 147.79 26.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -140.27 169.29 17.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.502 ' SD ' ' CE3' ' A' ' 44' ' ' TRP . 37.9 ttp -134.81 101.79 5.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -90.01 112.12 23.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.457 HG12 ' CD1' ' A' ' 60' ' ' LEU . 2.3 mt -104.48 115.19 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.9 mp -100.41 132.97 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.1 mttm 64.28 46.79 3.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.57 101.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.435 ' HB2' ' ND2' ' A' ' 85' ' ' ASN . 36.3 mttt -81.78 167.82 18.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.21 -23.46 47.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.435 ' ND2' ' HB2' ' A' ' 83' ' ' LYS . 0.5 OUTLIER -72.36 -21.2 61.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -73.97 -15.89 61.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.441 ' N ' HG22 ' A' ' 109' ' ' VAL . . . -81.13 117.25 21.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 169.31 -140.54 6.18 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -101.82 143.91 31.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 24.0 m-85 -128.74 144.08 51.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -127.74 150.45 49.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 10.5 m -129.69 132.85 46.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -128.75 121.4 28.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.487 ' O ' ' CD2' ' A' ' 100' ' ' PHE . 91.4 t -129.74 131.95 66.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -131.13 99.42 4.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 8.1 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.9 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.487 ' CD2' ' O ' ' A' ' 94' ' ' VAL . 2.8 t80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.89 144.5 51.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 68.3 p -131.95 126.78 34.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 25.1 t -133.61 134.84 43.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 78.1 p -115.45 135.9 53.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 90' ' ' TYR . 3.6 p90 -119.37 -174.82 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -126.6 128.53 46.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -115.54 124.01 49.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.422 ' CB ' HG21 ' A' ' 18' ' ' THR . 20.4 mt-10 -105.17 148.82 26.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.441 HG22 ' N ' ' A' ' 87' ' ' ALA . 39.1 t -131.18 116.9 34.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -102.86 145.1 30.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -61.99 128.37 35.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.79 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.2 mm . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.759 0.314 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.79 160.15 14.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -127.9 142.2 43.58 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.561 0.696 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 110.81 2.64 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -90.4 110.93 22.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.93 169.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -158.71 -157.92 8.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.3 m -135.58 112.76 10.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 111.144 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.9 p -108.7 140.43 27.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.6 153.93 39.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.44 117.73 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.135 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.8 -14.2 63.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.524 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -76.58 -175.41 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -132.5 119.92 21.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.5 tt -117.76 154.0 19.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 m -137.66 137.36 38.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.45 ' CD1' ' HE1' ' A' ' 77' ' ' MET . 43.7 m-85 -106.95 152.08 24.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.442 HG21 ' N ' ' A' ' 29' ' ' ALA . 39.0 mm -115.95 140.46 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.112 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.442 ' N ' HG21 ' A' ' 28' ' ' ILE . . . -156.77 113.46 3.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -104.82 164.47 11.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.462 ' CG1' ' HB2' ' A' ' 73' ' ' TYR . 14.7 p -151.27 135.98 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.154 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -77.05 125.88 30.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -123.16 164.51 18.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.428 ' O ' ' NH1' ' A' ' 71' ' ' ARG . 47.4 mt-10 -129.56 -43.24 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -93.42 150.65 20.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.0 mt -97.77 -40.19 8.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -53.38 -44.26 68.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -92.0 148.61 22.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -140.17 126.01 11.72 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.618 0.723 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 130.91 20.24 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.694 2.263 . . . . 0.0 112.346 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.1 m -96.16 141.64 29.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.8 tt -111.66 134.82 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.579 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 2.4 tppp? -125.68 116.32 21.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.8 m95 -89.93 120.11 30.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.579 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 61.6 m-85 -111.31 151.53 28.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.533 ' HD3' ' CE1' ' A' ' 90' ' ' TYR . 22.5 tptm -129.3 157.55 41.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.423 ' N ' ' HG3' ' A' ' 46' ' ' LYS . . . 58.88 -127.26 44.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.537 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -99.07 -57.52 2.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -131.31 34.35 4.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.445 ' CE ' HD21 ' A' ' 52' ' ' LEU . 1.2 tmm? -87.86 132.39 34.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -107.07 107.06 17.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 46' ' ' LYS . 28.6 mt -69.16 -27.7 65.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -47.67 -56.46 7.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.9 p -69.33 -24.32 63.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -74.23 -32.65 63.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.41 113.82 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.486 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . -153.06 -66.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.507 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -124.22 -60.28 1.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.33 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.4 ' O ' ' O ' ' A' ' 80' ' ' ILE . 96.7 m-70 -66.04 -20.47 66.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.43 ' CD1' HG12 ' A' ' 79' ' ' ILE . 3.7 tp -131.8 145.52 51.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 48.7 mm-40 -149.76 125.15 10.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.6 mt -91.37 164.49 13.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -139.5 145.88 39.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -152.37 128.39 10.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.463 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 14.0 t -138.46 167.26 22.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.613 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 43.0 t80 -135.0 147.64 49.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -128.07 97.32 4.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -22.86 66.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -53.59 -44.68 69.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.7 m -119.54 2.4 11.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.428 ' NH1' ' O ' ' A' ' 34' ' ' GLU . 13.6 mtm180 61.72 34.18 17.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 69.5 t -119.48 132.26 69.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.613 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 67.6 m-85 -91.69 155.54 18.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.463 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 14.7 m -137.06 114.5 10.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -109.9 148.12 32.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -141.66 166.0 25.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.45 ' HE1' ' CD1' ' A' ' 27' ' ' PHE . 49.6 ttp -135.02 101.4 4.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -87.39 110.27 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.43 HG12 ' CD1' ' A' ' 60' ' ' LEU . 2.4 mt -103.19 112.21 35.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.4 ' O ' ' O ' ' A' ' 59' ' ' HIS . 1.9 mp -96.88 146.46 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.9 mttm 48.07 48.79 18.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.51 110.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.071 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -88.81 167.56 13.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.7 -20.21 20.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.901 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -76.02 -19.84 58.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -75.88 -14.16 60.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.439 ' CB ' ' CG2' ' A' ' 109' ' ' VAL . . . -82.9 114.23 21.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -179.12 -142.84 5.1 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -109.97 117.75 34.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.357 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 20.3 m-85 -98.16 156.91 16.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -142.95 121.21 12.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.9 t -101.87 133.52 46.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -134.45 118.08 16.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 99.6 t -126.57 104.21 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.436 ' CG2' ' HB2' ' A' ' 100' ' ' PHE . 18.1 m -99.05 121.6 41.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.169 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.6 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.884 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.436 ' HB2' ' CG2' ' A' ' 95' ' ' THR . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.897 0.38 . . . . 0.0 110.864 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -120.83 157.17 30.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 80.0 p -146.27 152.2 38.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 20.6 p -162.99 134.72 5.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 94.6 p -112.24 157.87 20.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 90' ' ' TYR . 10.6 p90 -143.15 -176.6 4.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -126.17 137.18 53.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.4 ' C ' HD11 ' A' ' 107' ' ' LEU . 2.6 tm? -122.25 130.25 53.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -110.54 149.78 29.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.439 ' CG2' ' CB ' ' A' ' 87' ' ' ALA . 38.9 t -131.13 117.56 37.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.101 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -102.98 143.29 32.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -62.59 129.11 39.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.819 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.9 tt . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.807 0.336 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -106.63 135.58 47.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -122.4 127.27 25.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.577 0.703 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 104.27 1.29 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.704 2.269 . . . . 0.0 112.377 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -80.68 43.94 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 42.96 -166.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.91 -160.58 22.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 m -139.12 111.87 7.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.804 0.335 . . . . 0.0 111.126 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.8 p -114.05 140.86 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HB3' ' CD ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -74.11 153.34 39.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.34 117.49 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.52 -3.44 63.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.41 ' CD ' ' HB3' ' A' ' 20' ' ' LYS . 52.8 mt-10 -89.1 -179.32 5.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.832 0.349 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -124.76 124.63 42.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.7 tt -123.18 151.73 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 m -139.22 130.21 26.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.412 ' CD1' ' HE2' ' A' ' 77' ' ' MET . 31.9 m-85 -98.76 154.18 18.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.471 HG22 ' N ' ' A' ' 29' ' ' ALA . 41.6 mm -114.94 137.39 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.471 ' N ' HG22 ' A' ' 28' ' ' ILE . . . -149.0 131.93 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.469 ' HE2' ' CG2' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -116.52 160.11 21.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.8 t -143.41 126.8 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -75.78 113.97 13.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -118.77 158.73 25.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -117.96 -39.76 3.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -98.02 123.7 42.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.1 mt -62.04 -42.79 99.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.89 -55.28 36.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -63.65 133.73 54.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.432 ' NZ ' ' OE2' ' A' ' 64' ' ' GLU . 9.6 ttpp -131.58 116.34 16.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.548 0.689 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.44 ' HD3' ' CE1' ' A' ' 96' ' ' TYR . 53.7 Cg_endo -69.7 134.11 27.3 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.6 m -96.86 138.15 34.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.516 HG21 ' CG ' ' A' ' 75' ' ' PHE . 10.3 tt -112.91 133.83 57.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.067 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.567 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 2.6 tppp? -122.12 118.87 29.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -87.98 130.86 34.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.567 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 56.2 m-85 -126.32 164.32 21.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.458 ' HB2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -143.64 147.57 34.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.44 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 62.93 -130.76 42.57 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.497 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.52 ' HD3' ' CE2' ' A' ' 49' ' ' TRP . 26.2 tttt -104.33 -49.09 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.755 0.312 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.52 ' CE2' ' HD3' ' A' ' 48' ' ' LYS . 4.9 m95 -116.53 -35.28 4.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.976 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.3 ttp -42.32 120.63 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.493 ' OD1' ' CE1' ' A' ' 45' ' ' PHE . 25.1 t70 -111.35 122.0 46.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.562 HD13 ' CE2' ' A' ' 90' ' ' TYR . 22.6 mt -69.13 -39.61 78.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -41.65 -37.8 1.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.051 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.5 t -82.37 -27.68 31.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 52' ' ' LEU . 31.7 mmtm -69.23 -26.96 65.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.409 ' N ' HD22 ' A' ' 60' ' ' LEU . . . -59.96 110.46 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.89 -66.29 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -125.92 -50.81 1.58 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 80' ' ' ILE . 95.1 m-70 -80.04 -14.54 58.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.455 ' CD1' HG12 ' A' ' 79' ' ' ILE . 4.3 tp -136.57 144.18 44.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.406 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 34.9 mm-40 -148.33 124.37 10.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.942 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.7 mt -89.8 165.69 14.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -140.92 150.51 43.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.432 ' OE2' ' NZ ' ' A' ' 39' ' ' LYS . 7.7 tt0 -152.42 131.64 12.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.465 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 14.5 t -141.9 161.68 37.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.708 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 53.7 t80 -123.25 146.34 47.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -130.12 94.9 3.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -30.51 71.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -42.8 -47.28 5.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 t -119.37 2.99 11.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.0 mtt85 62.71 33.45 15.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 53.7 t -116.59 134.02 61.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.708 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 58.2 m-85 -94.2 134.75 36.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.465 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 5.0 m -114.62 123.24 48.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.516 ' CG ' HG21 ' A' ' 42' ' ' ILE . 8.2 m-85 -120.82 125.08 46.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -113.12 167.42 10.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.412 ' HE2' ' CD1' ' A' ' 27' ' ' PHE . 42.1 ttp -136.2 103.11 5.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.03 127.67 34.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.455 HG12 ' CD1' ' A' ' 60' ' ' LEU . 2.1 mt -119.28 105.58 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' ' 59' ' ' HIS . 1.1 mp -91.05 139.7 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.5 mttp 53.44 46.44 26.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.64 117.11 2.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -90.83 161.28 15.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.66 -11.63 3.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -86.87 -17.41 33.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -74.24 -17.92 60.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.458 ' HB3' ' N ' ' A' ' 109' ' ' VAL . . . -81.94 108.66 15.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -170.56 -139.64 2.8 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -104.13 114.26 28.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 110.85 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.58 ' CB ' ' CE2' ' A' ' 105' ' ' PHE . 3.0 m-85 -102.92 136.71 42.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -128.65 125.88 39.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.446 ' C ' ' OE1' ' A' ' 93' ' ' GLU . 27.7 p -106.63 149.75 26.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.446 ' OE1' ' C ' ' A' ' 92' ' ' CYS . 33.7 mp0 -144.73 123.62 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.3 t -123.16 104.03 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.42 127.15 38.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.44 ' CE1' ' HD3' ' A' ' 40' ' ' PRO . 3.7 t80 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 102' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.815 0.341 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -142.5 151.15 41.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.446 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 84.1 p -147.46 171.65 15.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 2.4 t -154.96 171.13 20.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 94.8 p -138.91 147.67 42.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.58 ' CE2' ' CB ' ' A' ' 90' ' ' TYR . 1.3 p90 -153.85 -176.97 6.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -135.41 140.4 44.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.471 HD22 ' N ' ' A' ' 108' ' ' GLU . 1.2 tt -112.36 142.12 45.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.471 ' N ' HD22 ' A' ' 107' ' ' LEU . 26.1 mt-10 -119.77 145.87 46.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.458 ' N ' ' HB3' ' A' ' 87' ' ' ALA . 60.3 t -131.96 121.65 47.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -103.09 144.66 31.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -65.05 129.22 38.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 38.1 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.778 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.483 HD12 ' CD ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.818 0.342 . . . . 0.0 111.152 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -93.91 147.28 23.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -133.73 120.76 15.67 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.628 0.727 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 112.4 3.08 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.686 2.257 . . . . 0.0 112.316 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 16' ' ' GLY . 50.2 mm-40 -86.25 35.02 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 15' ' ' GLN . . . 34.93 -153.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.459 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 171.27 -155.44 24.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.5 m -137.96 114.49 10.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.82 0.343 . . . . 0.0 111.149 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.5 p -111.41 142.37 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.51 154.49 38.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.7 t -61.74 117.22 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.58 -11.03 63.03 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.49 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -79.2 -176.49 5.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -131.44 122.1 25.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.5 tt -124.88 152.62 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.2 m -135.6 132.79 37.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.529 ' CE1' ' HE3' ' A' ' 77' ' ' MET . 25.8 m-85 -99.91 152.47 20.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.5 mm -110.01 135.57 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -154.45 112.66 3.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -113.1 159.99 18.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.409 HG12 ' CG ' ' A' ' 40' ' ' PRO . 4.9 p -139.75 144.83 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.483 ' CD ' HD12 ' A' ' 11' ' ' ILE . 2.5 tptt -75.83 124.77 27.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 71' ' ' ARG . . . -129.44 136.92 50.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.09 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -105.1 -42.56 5.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.22 160.99 14.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.7 mt -101.37 -40.07 7.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -54.09 -40.77 67.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -86.75 144.73 26.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.509 ' HG2' ' CE2' ' A' ' 73' ' ' TYR . 14.9 mtmm -137.06 120.56 11.9 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.584 0.707 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.409 ' CG ' HG12 ' A' ' 31' ' ' VAL . 54.0 Cg_endo -69.75 120.83 7.55 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.673 2.248 . . . . 0.0 112.382 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.6 m -82.67 139.1 33.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.418 HG22 ' CG ' ' A' ' 75' ' ' PHE . 10.4 tt -121.97 123.09 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.448 ' HG2' ' CE1' ' A' ' 45' ' ' PHE . 4.3 tppt? -119.4 116.71 26.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -85.54 136.61 33.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.485 ' CE2' ' OD1' ' A' ' 51' ' ' ASP . 57.1 m-85 -130.86 162.66 29.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.46 ' HB2' ' CD2' ' A' ' 52' ' ' LEU . 9.6 tmtt? -144.87 147.91 33.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.439 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 65.19 -136.71 37.5 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.523 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 49' ' ' TRP . 8.1 tmtm? -100.97 -52.94 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.461 ' CD1' ' HB3' ' A' ' 48' ' ' LYS . 14.9 m95 -110.84 -35.13 6.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.953 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.9 ttp -43.08 118.92 1.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.485 ' OD1' ' CE2' ' A' ' 45' ' ' PHE . 21.1 t0 -110.28 111.62 23.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.499 HD12 ' CE2' ' A' ' 90' ' ' TYR . 40.3 mt -57.19 -43.7 82.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.44 ' CB ' ' HD2' ' A' ' 43' ' ' LYS . . . -41.88 -38.29 1.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.6 t -81.15 -32.35 33.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' LEU . 35.1 mmtt -65.61 -30.55 71.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.455 ' N ' HD22 ' A' ' 60' ' ' LEU . . . -55.82 113.68 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.088 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.51 -60.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -128.99 -56.63 1.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.835 0.35 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 80' ' ' ILE . 97.8 m-70 -74.25 -20.56 60.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.461 ' CD1' HG12 ' A' ' 79' ' ' ILE . 4.4 tp -129.01 145.2 51.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.416 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 12.8 mm-40 -148.2 124.21 10.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.9 mt -91.46 153.73 19.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -127.6 148.67 50.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -152.04 133.85 14.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.461 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 11.7 t -147.31 165.97 28.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.172 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.6 ' CD1' ' CE1' ' A' ' 73' ' ' TYR . 41.1 t80 -128.72 147.06 50.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -129.91 90.95 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -23.72 52.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -46.03 -45.27 15.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 82.7 p -126.57 4.86 6.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 33' ' ' ALA . 32.3 mtt-85 63.51 38.98 9.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 63.7 t -123.78 130.82 73.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.6 ' CE1' ' CD1' ' A' ' 66' ' ' PHE . 6.3 m-85 -89.59 152.1 21.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.461 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 50.1 m -127.98 105.81 8.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.418 ' CG ' HG22 ' A' ' 42' ' ' ILE . 25.5 m-85 -104.08 129.67 51.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -123.51 167.28 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.529 ' HE3' ' CE1' ' A' ' 27' ' ' PHE . 50.9 ttp -135.03 97.88 3.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -84.32 113.04 20.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.461 HG12 ' CD1' ' A' ' 60' ' ' LEU . 2.4 mt -103.75 114.56 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.405 ' O ' ' O ' ' A' ' 59' ' ' HIS . 2.2 mp -99.53 140.29 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.6 mttt 54.43 47.73 22.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.3 108.98 0.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -89.27 169.01 11.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.85 -19.73 19.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -75.27 -17.86 60.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -80.79 -10.02 59.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.435 ' CB ' ' CG2' ' A' ' 109' ' ' VAL . . . -86.19 121.59 28.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 166.1 -140.44 6.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -105.76 133.47 50.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.857 0.36 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.583 ' CB ' ' CE2' ' A' ' 105' ' ' PHE . 8.9 m-85 -112.77 147.28 37.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 47.4 ttm-85 -139.86 123.88 17.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.01 146.48 28.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -131.89 122.17 25.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.457 ' O ' ' CD2' ' A' ' 100' ' ' PHE . 58.5 t -130.49 122.4 52.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 m -114.54 143.78 44.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 7.8 t80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.954 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.457 ' CD2' ' O ' ' A' ' 94' ' ' VAL . 7.3 t80 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.849 0.357 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -156.21 143.57 19.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 91.3 p -136.44 124.62 23.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.834 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 46.1 t -107.93 136.54 47.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 62.2 p -111.12 129.24 55.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.583 ' CE2' ' CB ' ' A' ' 90' ' ' TYR . 1.5 p90 -131.41 167.29 19.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -119.2 122.94 43.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -103.83 129.91 51.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -107.92 147.22 31.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.435 ' CG2' ' CB ' ' A' ' 87' ' ' ALA . 38.7 t -128.44 117.4 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -102.96 144.29 31.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -66.61 125.08 24.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.829 -179.752 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 p -96.14 52.23 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.883 0.373 . . . . 0.0 110.867 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -119.51 111.99 18.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.03 125.84 6.71 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.527 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.7 m -144.88 148.5 34.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.89 0.376 . . . . 0.0 110.849 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 7' ' ' GLY . 2.9 t -152.16 109.53 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 36.2 61.41 0.81 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.1 pt -68.32 156.69 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 11' ' ' ILE . 4.9 tp -86.43 -49.88 7.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.493 ' CE2' ' SG ' ' A' ' 103' ' ' CYS . 0.7 OUTLIER -59.76 83.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.456 ' C ' ' O ' ' A' ' 10' ' ' PHE . 74.4 mt -33.28 -75.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.38 159.19 15.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -131.31 145.09 56.15 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.536 0.684 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 94.72 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.388 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -70.77 104.71 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.7 164.26 0.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -155.78 -152.68 6.29 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.3 m -138.59 114.97 10.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.362 . . . . 0.0 111.177 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.5 p -111.69 142.14 25.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -74.23 156.58 37.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.69 117.28 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.56 -10.18 62.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.527 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -80.75 -179.09 7.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -129.13 120.51 25.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.3 tt -121.36 151.69 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.4 m -132.8 144.34 50.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -112.49 157.49 21.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.5 mm -117.45 138.69 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.406 ' HB3' ' CZ ' ' A' ' 10' ' ' PHE . . . -156.13 113.82 3.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -113.64 158.04 21.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.8 p -138.63 141.54 36.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.441 ' HD2' ' CD1' ' A' ' 11' ' ' ILE . 3.4 tptm -76.02 117.24 17.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -115.65 150.12 37.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -118.53 -41.93 2.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -92.77 160.78 14.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.2 mt -109.82 -38.56 5.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -55.83 -36.15 67.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? -98.36 150.57 21.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -138.65 126.27 13.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.552 0.691 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 147.68 63.28 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.652 2.235 . . . . 0.0 112.36 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.3 m -112.24 137.36 50.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.472 HG21 ' CD2' ' A' ' 75' ' ' PHE . 8.3 tt -113.01 138.04 43.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -127.68 117.62 22.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.429 ' CE3' ' SD ' ' A' ' 77' ' ' MET . 54.8 m95 -89.6 136.56 32.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.489 ' CE1' ' CG ' ' A' ' 51' ' ' ASP . 65.8 m-85 -129.78 172.04 12.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.549 ' HD3' ' CE1' ' A' ' 90' ' ' TYR . 26.1 tptp -156.82 146.41 20.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.26 -132.93 30.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.572 ' HB3' ' CD1' ' A' ' 49' ' ' TRP . 1.1 tmtp? -104.3 -50.09 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.75 0.309 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.572 ' CD1' ' HB3' ' A' ' 48' ' ' LYS . 4.2 m95 -114.26 -35.65 4.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.408 ' CE ' ' CD2' ' A' ' 52' ' ' LEU . 3.3 ttp -42.49 116.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.489 ' CG ' ' CE1' ' A' ' 45' ' ' PHE . 26.3 t0 -109.48 101.73 10.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.539 HD11 ' CE2' ' A' ' 90' ' ' TYR . 64.0 mt -47.89 -34.42 8.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -44.47 -52.55 7.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.061 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.64 -19.68 55.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -76.79 -23.43 52.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.29 111.44 2.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.71 -52.23 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -129.33 -75.53 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.502 ' CD2' ' HZ2' ' A' ' 83' ' ' LYS . 83.0 m-70 -61.42 -17.04 52.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.857 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.479 ' CD1' HG12 ' A' ' 79' ' ' ILE . 4.6 tp -134.17 144.94 48.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -149.69 123.6 9.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.417 HD23 ' CD1' ' A' ' 44' ' ' TRP . 22.1 mt -91.03 163.76 14.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -140.32 151.18 44.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -151.76 134.39 15.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.7 t -145.71 146.68 31.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.537 ' CD1' ' CE2' ' A' ' 73' ' ' TYR . 32.3 t80 -114.2 146.82 39.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -129.32 90.86 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -22.58 62.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -53.92 -39.58 65.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.5 t -124.42 4.35 8.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.5 mtt180 57.97 39.92 26.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.4 t -128.98 133.18 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.537 ' CE2' ' CD1' ' A' ' 66' ' ' PHE . 90.6 m-85 -92.84 153.91 18.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 85.9 m -135.66 106.3 6.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.472 ' CD2' HG21 ' A' ' 42' ' ' ILE . 9.7 m-85 -102.12 134.52 45.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -121.73 165.53 15.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.429 ' SD ' ' CE3' ' A' ' 44' ' ' TRP . 46.3 ttp -135.01 100.32 4.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -87.51 112.73 22.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.479 HG12 ' CD1' ' A' ' 60' ' ' LEU . 2.8 mt -103.93 110.13 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.4 mp -95.27 146.66 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.0 mttm 47.27 51.28 13.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.23 110.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.502 ' HZ2' ' CD2' ' A' ' 59' ' ' HIS . 25.9 mttt -88.48 165.4 14.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.38 -12.65 2.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -83.48 -20.74 33.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.438 ' CE2' HG21 ' A' ' 79' ' ' ILE . 6.5 m-85 -72.84 -14.63 61.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.31 147.0 38.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 143.15 -139.39 8.9 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -114.81 126.31 54.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.549 ' CE1' ' HD3' ' A' ' 46' ' ' LYS . 8.7 m-85 -98.93 169.99 9.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -152.11 152.87 32.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 56.5 m -136.04 132.63 36.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -128.79 118.12 22.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.2 t -126.67 107.28 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -100.71 101.88 12.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -100.9 155.02 18.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -50.31 -53.22 30.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.53 -74.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -138.08 168.52 19.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -115.25 144.69 43.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -140.83 147.67 39.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 60.7 p -139.86 142.45 36.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.493 ' SG ' ' CE2' ' A' ' 10' ' ' PHE . 1.5 p -144.15 147.43 33.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 46.5 p -129.77 146.52 51.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.519 ' CZ ' ' CB ' ' A' ' 90' ' ' TYR . 47.2 p90 -132.86 -175.22 3.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -124.25 138.38 54.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -125.03 136.02 53.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -118.86 145.96 45.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 19.1 t -123.28 120.61 60.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -103.93 144.4 31.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -68.71 121.0 15.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.2 t -67.21 136.54 55.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 64.8 p -57.57 139.16 54.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.176 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -130.95 -63.53 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.523 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 116' ' ' THR . 14.8 t -98.36 154.07 18.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 111.155 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 115' ' ' THR . 22.4 p -35.57 146.15 0.19 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.56 0.695 . . . . 0.0 111.144 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 147.2 62.42 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -98.17 172.55 7.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 53.0 mt -41.67 123.12 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -110.2 176.18 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 77.6 p -147.54 113.66 5.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 150.12 164.08 11.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.462 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.21 35.4 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.5 t -138.35 170.6 15.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 39.9 m -150.49 146.38 26.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.454 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -91.94 159.22 15.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.893 0.377 . . . . 0.0 110.861 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -112.42 113.16 25.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.74 50.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.2 m -118.9 122.66 42.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 0.0 110.848 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -119.48 157.07 29.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.2 61.38 7.2 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.5 tt -88.35 148.3 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 111.133 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 10' ' ' PHE . 82.2 mt -107.49 -58.31 1.97 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 9' ' ' LEU . 2.2 t80 -37.04 101.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.7 mm -71.84 -75.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.41 ' CB ' ' HE3' ' A' ' 30' ' ' LYS . 1.3 tp10 -94.63 160.04 14.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -128.11 149.64 71.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.523 0.678 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 85.06 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -56.33 107.44 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.31 161.68 5.35 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -157.99 -159.31 9.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.4 m -134.37 115.92 14.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 0.0 111.121 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.4 p -111.02 143.2 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.83 155.82 38.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.1 t -63.64 122.39 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.67 -15.66 62.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.501 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -76.09 -175.48 3.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.892 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -131.86 121.3 23.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.5 tt -120.62 154.82 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.139 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.1 m -138.7 140.79 38.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -111.43 152.91 26.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.425 HG21 ' N ' ' A' ' 29' ' ' ALA . 42.2 mm -114.5 134.2 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.425 ' N ' HG21 ' A' ' 28' ' ' ILE . . . -145.05 114.24 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.41 ' HE3' ' CB ' ' A' ' 12' ' ' GLU . 13.3 mtmt -107.5 152.29 24.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.1 p -139.88 132.88 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -76.14 119.37 19.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -118.69 147.59 43.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -127.15 43.51 3.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -169.86 160.35 8.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.0 mt -116.27 -28.94 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.502 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 2.1 mp -70.73 -27.63 64.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -110.83 138.04 47.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.832 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.459 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 32.3 ttmt -126.36 127.24 24.64 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.546 0.689 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 163.6 37.67 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.653 2.236 . . . . 0.0 112.351 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.3 m -132.38 138.53 47.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.512 HG21 ' CG ' ' A' ' 75' ' ' PHE . 14.6 tt -116.52 130.67 70.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.565 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 3.0 tppp? -116.53 119.26 35.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.451 ' CE3' ' CE ' ' A' ' 77' ' ' MET . 27.4 m95 -89.59 128.81 36.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 56.0 m-85 -123.43 156.52 35.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.551 ' HD3' ' CE1' ' A' ' 90' ' ' TYR . 22.9 tptp -134.37 143.93 47.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.02 -129.64 35.26 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.524 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.446 ' HG2' ' CE2' ' A' ' 49' ' ' TRP . 6.0 ttmt -103.78 -54.33 2.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.446 ' CE2' ' HG2' ' A' ' 48' ' ' LYS . 4.8 m95 -113.08 -33.1 6.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.4 ttp -43.03 119.8 1.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -110.32 129.44 55.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.455 HD11 ' CE2' ' A' ' 90' ' ' TYR . 18.7 mt -77.95 -32.76 51.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -44.41 -33.54 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.3 t -91.78 -20.72 21.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' LEU . 72.3 mmtt -77.71 -26.13 49.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.454 ' N ' HD21 ' A' ' 60' ' ' LEU . . . -55.79 109.57 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.97 -71.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -121.16 -52.55 2.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.447 ' CE1' ' HE2' ' A' ' 83' ' ' LYS . 5.9 m-70 -77.66 -13.04 60.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.475 ' CD1' HG12 ' A' ' 79' ' ' ILE . 4.1 tp -141.63 143.92 33.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.932 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.425 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 11.2 mm-40 -148.9 123.62 9.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.8 mt -89.98 162.73 15.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -143.44 146.87 33.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -151.23 136.81 17.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.2 t -146.12 155.66 42.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.53 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 35.4 t80 -121.99 143.4 49.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -124.76 94.05 4.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -27.32 68.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -49.9 -40.95 44.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.8 m -123.38 2.64 9.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 59.32 53.13 5.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 73' ' ' TYR . 89.4 t -141.05 140.02 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.53 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 18.1 m-85 -100.96 145.6 28.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 94.3 m -125.42 108.43 11.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.512 ' CG ' HG21 ' A' ' 42' ' ' ILE . 5.2 m-85 -102.76 141.2 35.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -131.66 163.91 27.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.451 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 44.0 ttp -134.71 98.32 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -85.38 110.97 19.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.475 HG12 ' CD1' ' A' ' 60' ' ' LEU . 2.6 mt -103.11 103.5 15.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 59' ' ' HIS . 1.1 mp -88.6 142.89 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.2 mttt 49.39 47.55 22.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.9 115.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.488 ' HG3' ' CE1' ' A' ' 86' ' ' PHE . 44.6 mttt -87.65 162.82 16.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.07 -15.51 9.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -83.1 -18.63 38.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.488 ' CE1' ' HG3' ' A' ' 83' ' ' LYS . 5.2 m-85 -71.29 -14.06 62.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.463 ' CB ' HG23 ' A' ' 109' ' ' VAL . . . -78.14 152.72 32.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 138.71 -137.71 8.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -114.82 130.97 56.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.551 ' CE1' ' HD3' ' A' ' 46' ' ' LYS . 8.6 m-85 -104.96 156.87 17.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.9 ttp85 -148.16 123.65 10.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 14.7 p -116.48 139.72 50.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.525 ' OE1' ' CE2' ' A' ' 45' ' ' PHE . 12.4 mt-10 -125.54 118.36 25.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 90.2 t -120.9 108.08 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.5 m -107.08 118.97 38.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -113.75 155.1 26.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -49.56 -45.22 47.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.16 -70.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -138.05 167.76 21.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -120.7 126.16 49.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -128.72 146.5 50.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.5 m -142.75 163.84 31.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 31.6 p -163.48 157.94 20.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 59.6 p -123.34 146.21 48.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.619 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 0.1 OUTLIER -130.2 -176.01 3.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -131.68 130.99 42.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.423 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 2.7 tm? -125.82 121.91 34.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -105.36 159.2 16.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.463 HG23 ' CB ' ' A' ' 87' ' ' ALA . 23.5 t -133.36 124.83 49.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -103.99 143.08 33.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.807 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -66.12 122.6 17.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.0 t -70.32 82.42 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 54.5 m -65.63 -52.31 52.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 117.2 -90.73 0.52 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 58.6 m -130.16 140.23 50.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.372 . . . . 0.0 111.135 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.9 p -118.02 150.15 46.82 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.595 0.712 . . . . 0.0 111.135 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 118.99 6.01 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 0.0 112.393 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -49.16 161.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 4.6 mp -84.78 113.86 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.188 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -41.14 137.01 1.42 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.5 m -143.43 152.79 41.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -154.51 119.94 0.98 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.453 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 129.49 17.66 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.666 2.244 . . . . 0.0 112.303 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 92.1 p -76.56 133.74 39.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 62.8 m -57.16 147.84 23.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -71.49 166.27 22.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.824 0.345 . . . . 0.0 110.85 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.3 m -67.7 168.78 10.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.829 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.13 -143.07 4.44 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -128.85 94.0 3.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 110.849 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -85.15 104.42 15.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.25 106.51 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.441 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.8 tt -125.5 161.07 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 111.097 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.9 tp -52.94 -64.34 0.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -70.66 90.41 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 12' ' ' GLU . 3.2 tp -63.46 -49.74 81.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.141 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.494 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 8.7 tp10 -114.73 154.34 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt -122.22 142.15 36.15 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.583 0.706 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 101.34 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.248 . . . . 0.0 112.368 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -71.45 116.42 11.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.81 162.7 8.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.7 -150.83 5.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.525 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.409 HG23 ' NE2' ' A' ' 110' ' ' HIS . 3.8 m -142.54 115.1 8.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 111.149 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.401 HG21 ' N ' ' A' ' 20' ' ' LYS . 14.9 p -114.78 141.54 30.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' CB ' ' OE1' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -74.31 155.1 38.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.6 t -64.2 121.36 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.087 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.62 -4.44 69.22 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.405 ' OE1' ' CB ' ' A' ' 20' ' ' LYS . 30.1 mt-10 -88.37 -176.61 5.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -126.17 128.64 47.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.8 tt -131.08 153.21 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.5 m -138.64 139.58 38.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.561 ' CE1' ' HE2' ' A' ' 77' ' ' MET . 78.8 m-85 -108.51 155.48 20.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.3 mm -111.15 141.02 27.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.097 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.45 116.79 5.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -108.7 148.48 30.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.8 t -138.09 130.37 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -75.92 128.96 36.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.73 164.36 26.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.063 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -123.62 -42.81 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.35 135.91 33.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.87 -42.79 23.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.9 mt -56.62 -59.46 4.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -63.69 132.6 51.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 25.5 ttpt -129.89 119.61 19.06 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.522 0.677 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 163.49 38.08 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.383 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.2 m -125.39 133.53 52.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.416 HG21 ' CB ' ' A' ' 75' ' ' PHE . 12.4 tt -107.83 128.92 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.144 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.44 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 3.2 tppt? -118.21 121.16 39.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.418 ' CE2' ' HB2' ' A' ' 77' ' ' MET . 17.6 m95 -93.34 129.1 39.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.44 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 51.3 m-85 -121.71 154.35 36.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -125.8 147.39 49.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.22 -131.93 50.16 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -104.34 -48.02 3.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 5.3 m95 -116.03 -31.38 5.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.7 ttp -42.86 124.32 3.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -106.32 136.57 45.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.533 HD13 ' CE2' ' A' ' 90' ' ' TYR . 80.1 mt -89.84 -40.45 12.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -42.9 -32.42 0.63 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.7 t -83.41 -31.77 26.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' LEU . 38.3 mmtt -71.22 -28.76 64.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.42 110.45 0.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.435 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . -171.8 -73.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.45 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -117.39 -38.75 3.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.826 0.346 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.508 ' CE1' ' NZ ' ' A' ' 83' ' ' LYS . 11.4 m-70 -92.09 -15.8 27.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.444 ' CD1' HG12 ' A' ' 79' ' ' ILE . 5.0 tp -139.85 145.22 37.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 56.7 mm-40 -148.77 122.87 9.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.1 mt -95.19 153.51 17.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -130.92 150.18 52.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -150.12 134.11 16.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.462 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 12.1 t -143.15 154.12 43.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.681 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 57.6 t80 -119.67 147.6 44.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -129.62 96.5 4.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -22.3 66.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -43.64 -64.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t -111.74 6.46 19.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.4 mtt85 66.31 45.71 2.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.2 t -125.74 139.82 50.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.681 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 64.2 m-85 -99.85 150.55 22.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.462 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 87.6 m -132.72 101.69 5.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.138 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.416 ' CB ' HG21 ' A' ' 42' ' ' ILE . 12.4 m-85 -102.58 139.63 37.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -125.38 166.61 16.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.561 ' HE2' ' CE1' ' A' ' 27' ' ' PHE . 12.0 tmm? -135.04 99.77 4.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -83.79 138.18 33.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.512 ' CG1' ' SD ' ' A' ' 77' ' ' MET . 2.3 mt -126.78 101.32 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.421 HD12 ' C ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -88.56 141.41 14.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 179.842 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.407 ' HB2' ' ND1' ' A' ' 59' ' ' HIS . 14.9 mttp 50.7 45.77 26.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.55 126.77 10.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.076 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.508 ' NZ ' ' CE1' ' A' ' 59' ' ' HIS . 23.0 mttm -99.68 162.29 13.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.92 -16.55 12.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -82.8 -18.99 38.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -72.61 -16.01 61.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.409 ' CB ' ' CG2' ' A' ' 109' ' ' VAL . . . -75.45 142.69 42.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 143.27 -141.77 10.77 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -107.48 134.67 50.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.559 ' CE2' ' HE3' ' A' ' 77' ' ' MET . 26.4 m-85 -110.96 170.2 8.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -151.06 148.45 28.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.3 p -139.31 117.79 12.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.401 ' HG2' ' CB ' ' A' ' 102' ' ' SER . 36.2 mt-10 -113.07 120.21 40.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.4 t -120.29 106.21 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.163 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.6 p -95.76 131.7 41.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -132.99 172.7 12.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 97' ' ' LYS . 3.9 mmmt -66.85 -45.77 77.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.48 -74.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -138.01 167.54 21.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -127.01 126.83 43.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -139.16 156.79 46.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.401 ' CB ' ' HG2' ' A' ' 93' ' ' GLU . 70.7 p -146.28 148.03 32.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 7.5 t -129.02 168.68 15.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 94.0 p -140.84 139.58 34.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.479 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 1.2 p90 -130.52 -177.27 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.4 128.45 41.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 108' ' ' GLU . 29.9 tp -110.97 159.13 18.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.427 ' N ' ' HG ' ' A' ' 107' ' ' LEU . 21.5 mt-10 -134.49 148.09 50.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.409 ' CG2' ' CB ' ' A' ' 87' ' ' ALA . 16.6 t -127.43 122.86 60.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.163 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.409 ' NE2' HG23 ' A' ' 18' ' ' THR . 16.1 m170 -103.35 141.62 35.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -67.56 120.73 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.8 t -62.29 137.51 58.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.8 m 55.41 44.96 26.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.167 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -134.74 -75.08 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.1 t -121.86 132.46 54.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.899 0.381 . . . . 0.0 111.1 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 25.2 p -86.99 144.44 36.54 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.616 0.722 . . . . 0.0 111.082 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 177.64 5.37 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.352 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -116.21 154.84 29.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 19.2 mt -137.96 145.94 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -150.21 112.67 4.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 65.6 m -100.88 152.47 20.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -123.7 165.44 16.5 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 117.45 5.09 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.654 2.236 . . . . 0.0 112.307 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.2 m -117.21 161.4 19.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.2 t -108.61 175.74 5.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.425 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t -97.49 150.16 21.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.869 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.9 t -74.09 161.99 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.48 -135.38 1.96 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.469 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 t -165.07 156.96 15.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.361 . . . . 0.0 110.862 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -142.47 156.16 45.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.61 65.16 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.506 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.4 mp -74.42 138.26 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.6 tp -117.34 -44.05 2.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.54 76.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.1 mm -45.45 -76.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.469 ' CB ' ' HE3' ' A' ' 30' ' ' LYS . 8.4 tp10 -86.91 136.32 32.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -118.43 142.52 31.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.578 0.704 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 82.71 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.392 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -58.84 112.07 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.58 156.93 34.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.16 -147.22 4.48 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.522 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.428 HG22 ' CB ' ' A' ' 108' ' ' GLU . 5.7 m -139.94 116.11 10.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 111.134 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.1 p -111.1 139.59 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.43 ' HB3' ' CD ' ' A' ' 23' ' ' GLU . 1.6 tppp? -73.5 152.82 40.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.3 t -60.43 119.19 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.74 -17.73 57.9 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.507 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 1.6 mp0 -75.9 -178.44 4.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.892 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -128.57 132.1 48.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.2 tt -129.66 154.05 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.3 m -134.96 129.27 33.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -102.0 136.79 41.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 32.1 mm -99.02 125.83 52.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.5 111.61 4.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.076 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.469 ' HE3' ' CB ' ' A' ' 12' ' ' GLU . 2.0 ptpt -128.22 142.43 51.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.2 p -111.76 149.8 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -75.63 133.61 40.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.57 163.75 27.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -132.23 -48.43 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -89.34 161.42 16.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.2 mt -104.44 -39.6 6.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -51.46 -44.65 62.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -85.67 155.95 20.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.4 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 27.3 ttmt -144.37 119.89 6.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.701 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.426 ' HD2' ' CE1' ' A' ' 73' ' ' TYR . 54.2 Cg_endo -69.7 127.7 15.01 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.679 2.252 . . . . 0.0 112.364 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 56.5 m -88.37 142.41 27.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.404 HG23 ' CD1' ' A' ' 75' ' ' PHE . 18.9 tt -126.34 149.0 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.102 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.583 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 2.4 tppp? -144.18 137.52 27.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -105.35 133.1 50.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.583 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 64.7 m-85 -130.11 162.39 28.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.434 ' HD3' ' N ' ' A' ' 47' ' ' GLY . 14.2 tmtt? -151.22 144.68 24.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.434 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 70.19 -132.48 23.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HG2' ' CD1' ' A' ' 49' ' ' TRP . 24.2 ttpt -104.54 -52.64 2.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.779 0.323 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.562 ' CD1' ' HG2' ' A' ' 48' ' ' LYS . 65.0 m95 -114.23 -34.56 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.444 ' CE ' ' CD2' ' A' ' 52' ' ' LEU . 2.2 ttp -41.87 113.57 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -108.56 100.89 10.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.444 ' CD2' ' CE ' ' A' ' 50' ' ' MET . 36.7 mt -47.1 -42.93 19.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.47 ' CB ' ' HD2' ' A' ' 43' ' ' LYS . . . -41.4 -49.7 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 p -78.12 -29.54 48.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt -66.85 -31.34 71.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.17 118.64 4.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -163.14 -57.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.454 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -132.2 -63.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -65.71 -28.14 68.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.479 ' CD1' HG12 ' A' ' 79' ' ' ILE . 3.9 tp -120.48 146.54 46.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.41 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 32.7 mm-40 -148.98 126.37 11.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.7 mt -97.81 157.42 16.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -130.34 150.4 51.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -152.7 126.41 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.441 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 6.5 t -141.5 162.81 34.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.428 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 61.5 t80 -132.39 144.95 50.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 71' ' ' ARG . 33.2 mp0 -124.24 105.33 9.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -37.34 80.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.429 ' CD2' ' HB3' ' A' ' 67' ' ' GLU . 1.4 p-80 -54.36 -36.21 63.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.0 p -112.22 -9.16 13.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 67' ' ' GLU . 14.2 mtt85 56.73 51.57 10.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 91.7 t -143.1 135.25 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 75' ' ' PHE . 76.3 m-85 -90.26 124.12 34.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.441 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 62.3 m -106.93 106.85 17.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.138 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 73' ' ' TYR . 14.3 m-85 -104.39 142.71 34.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -135.77 167.07 21.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 31.3 ttp -136.7 102.71 4.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 61' ' ' GLN . 2.8 tt0 -89.04 111.46 22.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.479 HG12 ' CD1' ' A' ' 60' ' ' LEU . 3.1 mt -102.53 117.9 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.4 mp -103.53 130.47 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.1 mttt 64.05 45.66 4.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.89 112.67 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -89.84 166.07 13.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.34 -24.03 41.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.43 -16.57 61.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -79.87 -10.26 59.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.419 ' CB ' ' CG2' ' A' ' 109' ' ' VAL . . . -88.42 118.99 28.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 170.19 -123.99 1.1 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.445 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -116.66 138.54 51.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 9.2 m-85 -122.29 144.74 48.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -130.93 158.02 41.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 7.1 t -139.58 128.9 24.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -118.11 130.71 56.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.3 p -140.99 115.0 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.9 m -110.13 141.17 43.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.159 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.512 ' O ' ' C ' ' A' ' 97' ' ' LYS . 5.3 t80 -134.51 -179.53 5.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' A' ' 96' ' ' TYR . 46.5 mttt -27.82 -74.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -132.48 30.51 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -138.35 133.03 32.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -141.63 130.49 23.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -135.72 154.61 51.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 52.1 p -136.4 123.16 21.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 16.2 t -124.34 126.34 45.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 100.0 p -112.33 149.51 32.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 90' ' ' TYR . 1.9 p90 -135.22 176.77 8.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -118.37 131.87 56.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.402 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 1.9 tm? -117.78 131.72 56.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.428 ' CB ' HG22 ' A' ' 18' ' ' THR . 2.0 mp0 -111.64 153.31 26.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.419 ' CG2' ' CB ' ' A' ' 87' ' ' ALA . 21.8 t -136.48 117.39 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -103.0 143.89 31.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.97 128.08 34.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.0 t -80.23 78.77 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 15.5 m 59.04 37.61 24.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.12 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -92.45 -169.69 40.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.52 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 77.5 p -126.67 159.05 34.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.861 0.362 . . . . 0.0 111.145 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 20.9 p -105.72 152.27 40.09 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.619 0.723 . . . . 0.0 111.124 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 170.72 15.88 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -68.55 168.83 12.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 28.6 mt -130.99 110.01 17.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 21.5 t0 48.42 40.92 15.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.0 t -88.85 118.96 28.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -146.94 162.54 28.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 139.67 41.11 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.368 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.3 m -88.94 -59.55 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.0 m -79.8 117.8 21.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.7 p -129.4 -45.16 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.909 0.385 . . . . 0.0 110.865 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 t -66.51 81.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.48 146.08 32.48 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.6 p -108.89 -46.21 3.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.895 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -137.89 147.78 44.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.2 76.16 1.32 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.5 tt -166.5 118.74 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 111.099 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 11' ' ' ILE . 10.9 mt -82.76 -59.49 2.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.26 84.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' ' 9' ' ' LEU . 4.6 tp -55.88 -42.04 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.447 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 9.7 tm-20 -123.78 142.27 51.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -130.2 145.12 55.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.608 0.718 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 120.95 7.66 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -90.38 17.47 7.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 48.89 -178.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.525 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -174.37 -148.22 6.47 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.418 HG22 ' NE2' ' A' ' 110' ' ' HIS . 16.9 m -142.32 125.38 16.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.805 0.336 . . . . 0.0 111.172 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 20' ' ' LYS . 14.7 p -123.49 143.03 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' N ' HG23 ' A' ' 19' ' ' VAL . 1.4 tppp? -73.86 153.17 39.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.99 117.61 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.143 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.85 -9.82 62.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -82.14 -178.43 7.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -128.49 126.11 39.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.7 tt -127.01 152.78 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 m -132.55 135.6 46.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.496 ' CD1' ' HE1' ' A' ' 77' ' ' MET . 40.2 m-85 -105.5 154.59 20.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 38.9 mm -113.04 136.44 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -157.4 112.82 2.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.117 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -114.7 169.28 9.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.6 p -146.52 138.14 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -76.19 114.27 14.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.03 167.83 9.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.065 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -133.81 -43.88 0.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.46 ' OD1' ' C ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -97.86 156.11 16.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.8 mt -101.36 -47.24 4.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.9 mt -43.03 -47.25 5.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.51 ' CD ' ' HE2' ' A' ' 97' ' ' LYS . 8.9 mmt180 -90.43 153.78 20.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt -141.68 123.19 8.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.571 0.7 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 148.87 66.05 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.646 2.23 . . . . 0.0 112.359 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 42' ' ' ILE . 33.6 m -114.4 139.52 49.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.204 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.408 ' N ' HG23 ' A' ' 41' ' ' THR . 5.7 tt -109.02 151.86 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -142.58 117.05 9.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -89.37 134.52 34.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.472 ' CE1' ' OD1' ' A' ' 51' ' ' ASP . 67.5 m-85 -126.12 171.74 10.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 47' ' ' GLY . 11.1 tmtt? -162.15 145.88 12.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.463 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 69.55 -132.44 24.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.507 ' HD2' ' CE2' ' A' ' 49' ' ' TRP . 6.5 tmtm? -104.4 -55.89 2.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.507 ' CE2' ' HD2' ' A' ' 48' ' ' LYS . 17.8 m95 -112.15 -31.81 6.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.467 ' CE ' HD21 ' A' ' 52' ' ' LEU . 5.9 ttp -42.78 118.65 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.472 ' OD1' ' CE1' ' A' ' 45' ' ' PHE . 18.5 t70 -112.77 101.96 10.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.529 HD12 ' CE2' ' A' ' 90' ' ' TYR . 33.7 mt -49.75 -39.23 36.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -43.1 -49.12 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 p -79.47 -20.82 46.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt -74.03 -28.89 61.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.36 119.84 6.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -164.16 -68.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.439 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -123.07 -63.68 1.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.437 ' CD2' ' HZ2' ' A' ' 83' ' ' LYS . 68.9 m-70 -64.0 -29.19 70.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.468 ' CD1' HG12 ' A' ' 79' ' ' ILE . 4.9 tp -121.06 146.15 47.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -148.42 124.31 10.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.0 mt -94.71 162.44 13.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -138.37 145.57 41.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -152.19 126.05 9.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.471 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 15.1 t -138.08 166.27 24.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.453 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 39.2 t80 -128.01 144.14 51.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.407 ' OE1' ' O ' ' A' ' 72' ' ' VAL . 12.8 mp0 -126.05 95.61 4.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -28.89 70.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -51.29 -37.78 49.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.8 m -123.06 -0.23 8.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 31.7 mtm-85 59.5 48.58 9.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.407 ' O ' ' OE1' ' A' ' 67' ' ' GLU . 87.4 t -139.17 133.19 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.556 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 37.6 m-85 -90.57 137.77 32.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.471 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 16.4 m -115.32 106.0 13.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' A' ' 73' ' ' TYR . 7.8 m-85 -105.45 133.45 50.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -125.03 167.29 14.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.496 ' HE1' ' CD1' ' A' ' 27' ' ' PHE . 47.1 ttp -134.85 99.37 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -88.32 111.85 22.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.949 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.468 HG12 ' CD1' ' A' ' 60' ' ' LEU . 2.8 mt -103.16 117.0 47.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.3 mp -102.86 130.89 52.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.2 mttm 61.04 52.83 3.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.68 112.63 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.083 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.437 ' HZ2' ' CD2' ' A' ' 59' ' ' HIS . 23.6 mttm -86.91 168.3 13.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.3 -10.86 3.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -85.97 -16.29 38.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -78.71 -6.39 55.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -90.4 124.98 35.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.067 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 166.05 -134.43 3.29 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -116.73 123.72 47.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.624 ' CB ' ' CE2' ' A' ' 105' ' ' PHE . 3.7 m-85 -101.32 159.28 15.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -152.8 123.71 7.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.0 p -115.42 137.58 51.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.448 ' HG2' ' CB ' ' A' ' 102' ' ' SER . 30.7 mt-10 -134.4 132.19 39.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.504 ' O ' ' CG2' ' A' ' 94' ' ' VAL . 3.3 m -134.75 117.5 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.0 m -100.47 113.39 26.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -107.8 154.71 21.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.51 ' HE2' ' CD ' ' A' ' 38' ' ' ARG . 9.5 mmtm -52.78 -45.87 67.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.69 -72.54 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -139.01 165.34 27.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -121.4 125.77 47.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -137.68 148.26 45.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.448 ' CB ' ' HG2' ' A' ' 93' ' ' GLU . 59.6 p -145.6 168.26 21.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 30.8 p -147.73 -178.87 6.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.9 m -140.99 143.86 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.624 ' CE2' ' CB ' ' A' ' 90' ' ' TYR . 0.5 OUTLIER -142.78 -176.79 5.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.3 150.93 49.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -130.55 129.87 43.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.4 ' CB ' HG23 ' A' ' 18' ' ' THR . 40.2 mt-10 -107.53 147.18 30.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 38.6 t -128.25 122.19 57.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.159 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.418 ' NE2' HG22 ' A' ' 18' ' ' THR . 17.5 m170 -103.29 140.98 36.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -64.48 123.63 19.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.6 t -73.47 105.71 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.846 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 53.5 p -141.09 117.41 10.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.152 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.54 124.14 7.44 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.504 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 33.3 m -84.81 129.73 34.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 111.167 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 80.9 p -81.71 144.92 53.16 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.567 0.698 . . . . 0.0 111.182 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 172.07 13.27 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.688 2.259 . . . . 0.0 112.358 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.484 ' CG ' ' N ' ' A' ' 119' ' ' ILE . 7.1 t30 -132.3 169.15 16.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.484 ' N ' ' CG ' ' A' ' 118' ' ' ASN . 63.9 mt -116.63 141.79 33.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -95.92 157.35 15.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 55.0 p -46.67 166.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -115.49 168.57 12.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 178.2 4.8 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.691 2.26 . . . . 0.0 112.359 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.4 t -120.97 170.5 9.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.4 t -108.96 176.03 5.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 t -120.48 103.98 9.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.889 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -105.45 159.8 15.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.94 -139.21 8.26 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -92.02 174.12 7.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.865 0.364 . . . . 0.0 110.884 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.5 p -117.59 98.58 6.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.34 177.63 26.27 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -138.57 115.33 10.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.856 0.36 . . . . 0.0 111.159 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.5 tp -77.65 -38.28 48.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.519 ' CD2' ' O ' ' A' ' 12' ' ' GLU . 2.8 t80 -73.31 103.35 3.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.453 HG12 ' N ' ' A' ' 32' ' ' LYS . 28.0 mm -41.84 -75.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.519 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 4.7 tp10 -109.55 143.17 39.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -107.99 140.31 21.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.594 0.711 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 83.11 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.735 2.29 . . . . 0.0 112.328 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -62.93 107.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.4 167.19 0.43 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.456 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.52 -146.91 4.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.1 m -142.65 110.91 6.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 0.0 111.098 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.424 HG23 ' N ' ' A' ' 20' ' ' LYS . 13.7 p -106.07 141.66 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.424 ' N ' HG23 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -73.94 153.65 39.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.409 HG22 ' CG1' ' A' ' 109' ' ' VAL . 61.3 t -63.11 123.16 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.16 -16.94 59.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -74.91 -175.3 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.5 p-10 -130.27 120.95 25.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.5 tt -123.04 151.54 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.2 m -134.72 141.94 46.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.493 ' CD1' ' HE3' ' A' ' 77' ' ' MET . 76.5 m-85 -107.69 153.33 23.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.9 mm -113.18 139.26 39.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.161 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -148.1 117.76 7.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.0 mtmt -116.82 148.86 40.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.925 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.9 p -141.99 139.48 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.453 ' N ' HG12 ' A' ' 11' ' ' ILE . 7.6 tptt -76.17 127.58 33.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -123.01 159.65 27.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -124.98 -44.46 1.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -93.56 131.96 38.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 40.6 mt -73.61 -50.4 21.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 mt -53.27 -47.45 69.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -72.96 143.91 47.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.476 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 33.5 ttmt -140.86 122.05 9.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.504 0.669 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 139.55 40.41 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 65.8 m -97.61 144.69 27.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 11.8 tt -123.93 147.91 28.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 1.7 tppp? -136.33 126.74 26.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 42.9 m95 -96.72 124.87 40.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 64.0 m-85 -122.02 170.34 9.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' A' ' 47' ' ' GLY . 11.0 tmtt? -160.56 145.67 14.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.425 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 70.24 -131.04 22.18 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.506 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.553 ' HB3' ' CD1' ' A' ' 49' ' ' TRP . 3.8 tmtp? -104.23 -56.51 2.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.758 0.313 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.553 ' CD1' ' HB3' ' A' ' 48' ' ' LYS . 4.3 m95 -113.41 -30.53 6.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.941 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.458 ' CE ' HD21 ' A' ' 52' ' ' LEU . 2.8 ttp -43.74 114.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.498 ' CG ' ' CE1' ' A' ' 45' ' ' PHE . 32.8 t0 -108.62 100.12 9.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.458 HD21 ' CE ' ' A' ' 50' ' ' MET . 42.4 mt -44.56 -34.56 2.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.925 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -45.87 -50.84 13.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.59 -11.96 59.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.435 ' CE ' ' HG2' ' A' ' 50' ' ' MET . 50.8 mmtt -85.1 -19.23 32.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.14 113.18 4.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.072 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.477 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . -154.18 -71.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.51 ' CG ' ' N ' ' A' ' 59' ' ' HIS . 2.7 ptpp? -124.16 -48.49 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.787 0.327 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.51 ' N ' ' CG ' ' A' ' 58' ' ' LYS . 78.5 m-70 -77.28 -16.93 58.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.474 ' CD1' HG12 ' A' ' 79' ' ' ILE . 4.0 tp -134.32 145.68 49.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.932 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 76.7 mm-40 -150.39 124.89 9.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.0 mt -91.05 162.59 14.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -138.2 148.39 44.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -151.64 129.04 11.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.471 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 11.7 t -140.4 157.47 45.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.172 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.522 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 35.9 t80 -128.64 144.77 51.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -127.86 91.92 3.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.454 ' HD2' ' CE2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -59.35 -24.87 63.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -52.98 -35.85 59.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.3 m -125.75 -0.58 7.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.5 mtm-85 60.07 45.52 11.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.0 t -133.53 132.15 57.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.522 ' CE2' ' HB2' ' A' ' 66' ' ' PHE . 85.6 m-85 -91.33 155.14 18.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.471 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 86.1 m -137.93 106.35 5.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -104.21 139.07 39.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -131.02 166.82 20.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.493 ' HE3' ' CD1' ' A' ' 27' ' ' PHE . 44.6 ttp -134.98 97.71 3.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -82.88 110.65 18.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.474 HG12 ' CD1' ' A' ' 60' ' ' LEU . 2.8 mt -102.42 112.14 34.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.0 mp -97.68 136.34 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.169 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.4 mttt 55.74 50.64 13.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.78 115.23 1.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.081 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -89.68 173.9 8.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.84 -7.73 12.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -89.95 -12.49 38.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.452 ' CE2' HG23 ' A' ' 79' ' ' ILE . 3.4 m-85 -83.52 1.1 43.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.429 ' HB1' ' CG2' ' A' ' 109' ' ' VAL . . . -99.49 129.72 45.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.092 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 160.43 -130.28 2.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -116.11 122.28 44.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.537 ' CB ' ' CE2' ' A' ' 105' ' ' PHE . 7.4 m-85 -102.56 135.6 43.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -125.69 121.55 33.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.9 t -114.12 138.09 50.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.468 ' OE1' ' CZ ' ' A' ' 100' ' ' PHE . 20.5 mm-40 -128.04 132.12 49.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.4 p -125.68 113.03 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.5 m -104.42 112.48 25.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 97' ' ' LYS . 12.1 t80 -116.56 135.3 53.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 96' ' ' TYR . 4.7 mmmt -34.32 -47.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.411 ' HB2' ' CD2' ' A' ' 96' ' ' TYR . 1.7 m-20 -63.6 -73.43 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -136.44 159.8 40.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.468 ' CZ ' ' OE1' ' A' ' 93' ' ' GLU . 0.7 OUTLIER -117.03 117.65 30.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -108.44 172.0 7.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.427 ' CB ' ' OE2' ' A' ' 93' ' ' GLU . 34.6 p -140.68 166.98 23.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 15.3 t -159.52 147.17 17.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 99.4 p -141.91 133.0 26.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.537 ' CE2' ' CB ' ' A' ' 90' ' ' TYR . 0.5 OUTLIER -136.25 179.98 6.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.858 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -128.66 125.69 38.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.435 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 2.5 tm? -105.77 138.73 41.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -119.2 148.3 43.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.429 ' CG2' ' HB1' ' A' ' 87' ' ' ALA . 37.2 t -125.37 119.95 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -103.0 141.73 35.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -63.59 120.6 12.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 29.1 t -66.87 137.58 56.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 24.1 p -59.38 113.07 1.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.153 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -161.15 -51.76 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.469 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 3.9 t -89.07 166.96 13.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.845 0.355 . . . . 0.0 111.196 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 41.8 p -52.76 139.44 41.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.548 0.69 . . . . 0.0 111.162 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 149.6 67.53 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.376 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -121.83 177.45 5.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 31.3 mm -108.57 133.71 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -135.8 105.55 6.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.7 m -140.21 157.94 44.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 178.46 -113.49 0.41 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.517 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 178.2 4.83 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.673 2.249 . . . . 0.0 112.326 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.5 m -65.58 164.23 14.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.7 t -73.85 122.34 22.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.811 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.452 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.3 t -85.87 117.46 24.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.916 0.389 . . . . 0.0 110.89 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.5 p -155.84 156.12 34.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.87 64.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -128.58 113.77 15.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m -118.71 155.86 30.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.816 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.17 71.65 0.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.453 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.4 tt -119.01 156.42 21.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.867 0.365 . . . . 0.0 111.152 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 11' ' ' ILE . 12.5 mt -76.4 -51.22 12.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.19 76.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 12' ' ' GLU . 6.6 tt -55.98 -41.9 69.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.119 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.47 ' N ' HG22 ' A' ' 11' ' ' ILE . 1.2 tp10 -106.76 153.81 21.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.402 ' HG3' ' C ' ' A' ' 12' ' ' GLU . 2.9 mtmp? -142.45 136.56 14.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.711 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 119.24 6.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.319 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -92.45 27.4 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 38.28 -157.98 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 171.83 -156.62 26.14 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.512 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 m -135.29 118.74 16.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 111.162 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.7 p -116.48 144.31 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.07 152.18 31.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 80.0 t -60.67 116.56 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.133 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.78 -12.07 60.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -79.98 -177.15 5.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 110.936 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -128.68 121.75 29.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.5 tt -123.06 152.57 27.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 m -136.43 136.47 39.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.154 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -106.79 154.5 20.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.466 ' CG2' ' HE2' ' A' ' 30' ' ' LYS . 37.4 mm -115.56 134.48 58.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.088 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.426 ' N ' HG23 ' A' ' 28' ' ' ILE . . . -153.41 112.72 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.069 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.466 ' HE2' ' CG2' ' A' ' 28' ' ' ILE . 21.6 mtmt -114.82 164.63 13.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.0 p -140.04 144.54 27.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.161 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.9 tptt -77.08 122.02 24.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -123.73 147.1 47.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.084 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -118.66 -46.18 2.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -89.24 120.2 30.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 70.3 mt -66.56 -47.86 71.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 mt -50.19 -40.63 47.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -81.3 137.48 35.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 3.7 ttmm -130.44 120.13 18.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.611 0.719 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 168.98 19.9 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.9 m -134.28 132.24 39.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.518 HG22 ' CG ' ' A' ' 75' ' ' PHE . 6.5 tt -113.42 134.42 56.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -128.79 117.84 21.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.559 ' CE3' ' SG ' ' A' ' 92' ' ' CYS . 45.5 m95 -85.42 139.41 31.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -131.87 167.65 19.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.568 ' HD3' ' CE1' ' A' ' 90' ' ' TYR . 20.9 tptm -145.68 153.3 40.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.73 -127.2 40.89 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.508 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.593 ' HG3' ' CD1' ' A' ' 49' ' ' TRP . 16.3 tptm -102.91 -60.25 1.58 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.73 0.3 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.593 ' CD1' ' HG3' ' A' ' 48' ' ' LYS . 77.2 m95 -128.2 38.0 4.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.1 ttp -94.61 126.53 39.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -97.0 120.69 37.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.1 mt -82.95 -41.33 18.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -42.46 -42.5 3.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.2 t -72.37 -34.65 68.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -65.87 -35.27 80.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.24 112.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -157.88 -58.74 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -129.86 -58.24 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -70.29 -27.0 64.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.467 ' CD1' HG12 ' A' ' 79' ' ' ILE . 3.9 tp -124.55 145.5 49.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.406 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 29.5 mm-40 -148.26 125.73 11.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.7 mt -93.5 162.8 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -136.88 146.88 46.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -152.56 129.21 10.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.478 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 14.8 t -142.73 163.94 31.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.124 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.446 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 45.1 t80 -125.85 145.13 50.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -129.46 91.34 3.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -32.48 71.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -38.02 -49.02 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.5 m -118.49 3.52 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.3 mtt85 62.96 41.73 8.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 95.3 t -128.46 134.85 63.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.446 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 63.7 m-85 -90.76 152.4 20.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.478 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 11.5 m -131.49 114.53 15.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.518 ' CG ' HG22 ' A' ' 42' ' ' ILE . 6.9 m-85 -113.93 141.2 47.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.45 ' OE2' ' C ' ' A' ' 75' ' ' PHE . 1.4 mp0 -135.04 166.82 22.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 45.2 ttp -134.96 99.98 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -85.67 108.78 18.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.467 HG12 ' CD1' ' A' ' 60' ' ' LEU . 2.6 mt -100.42 115.03 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.4 mp -100.22 134.77 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.5 mttt 57.54 47.89 15.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.03 114.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -89.34 166.16 13.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.32 -25.36 48.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -72.69 -16.73 61.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -78.87 -6.32 55.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.476 ' CB ' ' CG2' ' A' ' 109' ' ' VAL . . . -88.74 115.75 26.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 172.05 -153.13 18.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -98.28 120.52 38.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.357 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.651 ' CB ' ' CZ ' ' A' ' 105' ' ' PHE . 16.1 m-85 -98.42 150.52 21.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -134.85 156.43 48.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.559 ' SG ' ' CE3' ' A' ' 44' ' ' TRP . 1.8 m -144.51 145.32 31.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -139.68 120.56 14.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 85.3 t -127.49 104.37 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.2 m -94.2 118.68 31.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -108.54 164.06 12.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.465 ' N ' ' HD3' ' A' ' 97' ' ' LYS . 11.2 mmtt -55.89 -49.7 72.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -65.02 -70.19 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -137.33 168.66 19.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -116.43 128.17 55.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -122.7 149.46 44.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 79.5 p -145.37 139.07 26.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 50.6 m -140.35 165.62 26.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 37.5 m -142.12 164.27 30.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.651 ' CZ ' ' CB ' ' A' ' 90' ' ' TYR . 30.9 p90 -146.48 -175.67 4.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -128.68 124.7 36.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.422 HD13 ' N ' ' A' ' 108' ' ' GLU . 2.7 tm? -111.01 135.39 51.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.422 ' N ' HD13 ' A' ' 107' ' ' LEU . 38.2 mt-10 -115.11 144.46 43.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.476 ' CG2' ' CB ' ' A' ' 87' ' ' ALA . 20.6 t -124.77 116.99 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -103.02 141.57 35.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -62.11 128.67 37.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.0 t -79.44 105.62 10.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 70.7 p -98.92 -53.46 3.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 127.87 107.41 1.4 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.516 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 26.7 p -94.98 158.66 15.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 0.0 111.164 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 44.1 p -54.14 146.4 30.59 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.537 0.684 . . . . 0.0 111.17 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 112.65 3.13 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.253 . . . . 0.0 112.35 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -64.68 169.97 4.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 66.8 mt -126.26 129.45 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -106.2 159.41 16.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.2 m -63.6 150.3 44.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -38.0 100.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -179.72 3.11 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.357 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 39.5 t -59.81 -60.76 3.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 60.0 p -124.6 152.92 42.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.466 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -108.67 -57.22 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.905 0.383 . . . . 0.0 110.873 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.8 p -146.65 155.6 42.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.43 124.48 6.44 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.464 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 m -50.12 178.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.369 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -113.0 86.36 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.52 130.87 6.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.9 mp -76.15 122.53 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 111.113 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.2 tp -60.25 -51.78 68.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 11' ' ' ILE . 2.2 t80 -73.92 82.9 1.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 10' ' ' PHE . 73.4 mt -33.97 -75.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.442 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 3.3 tp10 -98.48 156.95 16.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -132.32 128.06 21.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.544 0.688 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 107.49 1.88 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 16' ' ' GLY . 81.1 mm-40 -82.12 39.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 15' ' ' GLN . . . 37.94 -158.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.513 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 174.22 -156.44 23.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.438 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.6 m -137.96 118.97 14.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.835 0.35 . . . . 0.0 111.175 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.414 HG22 ' N ' ' A' ' 20' ' ' LYS . 12.8 p -115.55 141.88 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.414 ' N ' HG22 ' A' ' 19' ' ' VAL . 1.1 tppp? -74.09 156.04 37.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.7 t -62.59 123.95 16.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.54 -17.17 57.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.47 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -76.08 -176.6 3.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.869 -179.862 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.424 ' CG ' ' HA ' ' A' ' 80' ' ' ILE . 3.4 m-20 -131.16 132.38 44.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.429 ' CG1' ' N ' ' A' ' 26' ' ' THR . 10.4 tt -129.16 157.63 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.429 ' N ' ' CG1' ' A' ' 25' ' ' ILE . 5.2 m -138.06 138.08 38.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.57 ' CE1' ' HE3' ' A' ' 77' ' ' MET . 51.2 m-85 -108.17 145.21 34.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.836 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 36.6 mm -103.41 147.33 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -159.61 115.18 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -109.61 148.35 31.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.4 t -134.55 138.65 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.6 tptt -76.63 132.91 39.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -132.6 155.57 48.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -127.88 -45.15 1.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -97.94 117.43 32.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.0 mt -56.89 -46.19 82.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 mt -54.6 -42.54 71.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.8 mmp_? -76.03 124.03 26.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -125.87 116.92 24.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.552 0.691 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 162.47 41.96 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.697 2.265 . . . . 0.0 112.36 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.1 m -120.54 140.44 51.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.491 HG21 ' CG ' ' A' ' 75' ' ' PHE . 17.1 tt -119.59 131.23 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.418 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 3.3 tppt? -130.3 115.85 17.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -84.67 135.25 34.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.418 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 52.1 m-85 -129.5 155.95 44.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.48 ' HB2' ' CD2' ' A' ' 52' ' ' LEU . 3.2 tttt -140.14 162.54 35.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.48 -127.25 43.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.502 ' HG2' ' CE2' ' A' ' 49' ' ' TRP . 19.7 ttmt -104.07 -58.4 1.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.328 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.502 ' CE2' ' HG2' ' A' ' 48' ' ' LYS . 5.2 m95 -127.91 19.31 6.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.5 ' CE ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -77.74 129.09 35.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.492 ' N ' ' SD ' ' A' ' 50' ' ' MET . 23.5 t70 -107.39 112.38 25.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.5 HD23 ' CE ' ' A' ' 50' ' ' MET . 15.8 mt -65.06 -32.38 74.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.6 -34.33 11.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.4 t -77.14 -31.17 55.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm -72.09 -26.13 62.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.47 114.67 2.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.28 -76.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -120.2 -38.75 2.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.771 0.32 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 80' ' ' ILE . 85.5 m-70 -81.3 -35.06 31.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.83 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.466 HD22 ' CD2' ' A' ' 62' ' ' LEU . 5.2 tt -127.67 142.0 51.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -140.12 117.18 11.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.466 ' CD2' HD22 ' A' ' 60' ' ' LEU . 14.3 mt -83.38 164.9 19.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -137.87 154.53 49.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -152.69 132.62 13.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.448 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 4.7 t -147.78 159.1 44.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -129.69 151.02 50.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -129.04 96.25 4.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -24.85 67.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -50.66 -43.56 57.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.6 m -122.31 7.2 9.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.7 mtm-85 56.7 37.18 28.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 86.8 t -119.84 136.36 57.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -93.53 153.63 18.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.448 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 58.9 m -137.37 108.94 6.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.15 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.491 ' CG ' HG21 ' A' ' 42' ' ' ILE . 16.2 m-85 -107.9 133.92 51.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -121.53 167.73 12.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.57 ' HE3' ' CE1' ' A' ' 27' ' ' PHE . 9.9 tmm? -140.01 106.2 5.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -93.24 133.16 36.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.513 ' CG1' ' SD ' ' A' ' 77' ' ' MET . 2.0 mt -121.82 107.27 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 59' ' ' HIS . 1.6 mp -92.75 131.82 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.8 mttt 66.37 49.06 1.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.09 105.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.6 mttp -82.32 165.58 20.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -60.68 -15.1 25.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.429 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 4.4 m120 -84.98 -5.22 59.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -86.98 -11.38 50.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -82.93 112.34 19.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -178.35 -149.15 7.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.522 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -105.83 118.7 37.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.569 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 8.9 m-85 -98.14 168.63 10.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -148.59 139.14 22.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 47.0 t -116.99 126.34 52.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.437 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 14.7 mp0 -123.36 122.96 39.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 62.6 t -139.28 119.63 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.8 m -103.72 157.36 17.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.462 ' O ' ' C ' ' A' ' 97' ' ' LYS . 6.2 t80 -149.84 176.87 10.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 96' ' ' TYR . 25.9 mtpt -33.3 -71.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -132.75 26.5 4.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -137.57 124.48 21.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -143.16 126.75 16.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -144.91 133.92 22.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.4 p -118.44 140.75 49.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 18.9 p -133.76 139.31 46.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 90.3 p -112.9 140.26 47.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 90' ' ' TYR . 2.0 p90 -124.11 -177.45 3.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.87 126.18 44.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -115.13 127.12 55.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -110.45 157.0 20.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.57 121.81 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -103.29 146.13 28.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -67.81 123.07 19.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 31.0 t -67.16 -57.43 6.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 28.6 p -50.08 119.88 3.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -70.24 101.42 0.89 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 25.3 p -137.55 167.52 21.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.352 . . . . 0.0 111.159 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 38.5 p -71.98 142.09 84.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.708 . . . . 0.0 111.131 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -176.63 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -143.05 165.46 27.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 41.5 mt -97.37 116.17 39.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -93.34 114.49 26.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 99.0 p -79.61 142.5 35.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -98.48 153.04 19.87 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.532 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 174.06 10.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.661 2.24 . . . . 0.0 112.34 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.4 t -131.8 -179.87 5.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.3 t 39.69 45.15 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.443 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 m -111.54 166.44 11.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 m -111.21 174.52 5.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.18 124.48 1.08 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.1 m -113.0 175.35 5.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.885 0.374 . . . . 0.0 110.848 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.6 p -86.95 140.94 29.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.87 154.17 26.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.513 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.3 mt -139.12 122.39 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 111.143 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.12 150.39 20.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.472 ' O ' ' C ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER 66.08 54.57 0.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.472 ' C ' ' O ' ' A' ' 10' ' ' PHE . 17.0 mm -31.42 -66.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -99.04 157.1 16.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -126.65 143.17 45.5 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.578 0.704 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 97.64 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.643 2.228 . . . . 0.0 112.363 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -73.63 108.61 6.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.88 169.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.47 -162.64 13.14 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.428 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 m -131.18 113.76 14.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.827 0.346 . . . . 0.0 111.15 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.0 p -109.36 139.66 31.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.427 ' HB3' ' CD ' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -73.6 149.61 41.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.7 t -59.04 119.0 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.34 -17.03 57.44 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.416 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.501 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 0.9 OUTLIER -78.89 -177.56 5.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -179.873 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.64 130.28 48.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.858 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.8 tt -129.85 152.68 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.5 m -137.91 141.23 40.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.572 ' CE2' ' HE2' ' A' ' 77' ' ' MET . 70.8 m-85 -110.17 141.92 42.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 33.9 mm -101.61 135.89 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -147.05 113.34 5.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -108.04 151.4 25.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.2 t -137.98 137.28 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -75.94 127.11 32.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -124.28 164.26 19.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -128.93 -45.47 1.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -96.75 124.16 40.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.4 mt -59.4 -44.76 92.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mt -60.7 -54.56 43.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.8 mmp_? -56.7 124.36 18.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.431 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 29.6 ttmt -127.54 119.29 21.6 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.568 0.699 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 172.24 13.01 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.713 2.275 . . . . 0.0 112.33 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.2 m -129.32 131.49 46.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.119 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.492 HG22 ' CG ' ' A' ' 75' ' ' PHE . 6.9 tt -114.2 123.9 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.139 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -119.64 118.05 29.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -85.74 147.24 26.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 91' ' ' ARG . 55.3 m-85 -142.24 160.63 39.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.848 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.47 ' HD3' ' N ' ' A' ' 47' ' ' GLY . 13.1 tmtt? -146.35 145.56 30.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.47 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 69.07 -133.56 26.63 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.468 ' HD3' ' NE1' ' A' ' 49' ' ' TRP . 0.1 OUTLIER -103.86 -51.17 3.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.759 0.314 . . . . 0.0 110.885 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.468 ' NE1' ' HD3' ' A' ' 48' ' ' LYS . 15.1 m95 -115.06 -33.83 5.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.8 ttp -44.14 121.8 2.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -113.45 112.94 24.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.823 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.457 ' CD2' ' HB2' ' A' ' 46' ' ' LYS . 36.2 mt -56.55 -38.58 72.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -45.11 -46.96 12.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.4 t -74.68 -28.23 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -71.49 -29.49 64.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.441 ' N ' HD21 ' A' ' 60' ' ' LEU . . . -56.33 122.41 11.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -179.71 -53.41 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.437 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -129.06 -72.07 0.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 80' ' ' ILE . 94.9 m-70 -65.32 -15.27 62.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.469 ' CD1' HG12 ' A' ' 79' ' ' ILE . 4.5 tp -133.63 144.53 49.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.414 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 9.3 mm-40 -148.51 122.82 9.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.471 ' CD2' ' HG2' ' A' ' 77' ' ' MET . 16.2 mt -91.34 164.57 13.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -139.06 153.05 48.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -152.53 136.01 15.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.465 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 6.6 t -144.88 165.72 27.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.135 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.508 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 47.2 t80 -132.97 140.81 47.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -125.05 94.22 4.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -27.93 69.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -44.27 -49.31 9.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.0 m -120.65 8.31 10.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.5 mtt85 56.8 51.67 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.928 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 52.3 t -130.09 129.82 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.508 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 70.8 m-85 -93.35 135.31 34.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.465 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 91.3 m -121.39 116.3 24.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.168 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.492 ' CG ' HG22 ' A' ' 42' ' ' ILE . 15.1 m-85 -115.16 128.37 56.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -115.35 168.6 9.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.572 ' HE2' ' CE2' ' A' ' 27' ' ' PHE . 12.0 tmm? -141.53 105.05 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -87.43 139.87 30.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.51 ' CG1' ' SD ' ' A' ' 77' ' ' MET . 2.2 mt -127.27 100.15 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.405 ' O ' ' O ' ' A' ' 59' ' ' HIS . 1.2 mp -86.87 143.23 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.8 mttm 49.67 48.79 21.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.74 117.89 2.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.2 mttm -93.18 166.78 12.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.59 -25.15 59.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -72.5 -16.37 61.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.408 ' CE2' HG21 ' A' ' 79' ' ' ILE . 3.5 m-85 -78.07 -9.16 59.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.06 122.59 31.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 163.49 -152.68 22.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -92.0 128.12 37.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -108.95 136.24 48.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 45' ' ' PHE . 5.8 ttt180 -128.42 139.17 52.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 41.8 t -129.2 159.1 37.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -148.39 119.25 7.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 73.3 t -126.84 110.18 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.2 m -102.67 127.6 49.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -116.04 162.19 17.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -53.83 -42.69 68.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -72.07 -70.8 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -137.82 168.23 20.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 102' ' ' SER . 1.7 t80 -113.3 133.88 54.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.42 ' CG ' ' HB2' ' A' ' 10' ' ' PHE . 3.1 p30 -116.38 153.21 32.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.492 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 79.4 p -148.64 134.51 19.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 11.2 m -152.59 135.36 15.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 98.8 p -115.63 152.5 33.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.443 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 2.2 p90 -136.93 -175.21 3.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.34 139.72 52.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 108' ' ' GLU . 3.4 tm? -125.44 127.76 47.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.438 ' N ' HD12 ' A' ' 107' ' ' LEU . 21.3 mt-10 -107.99 151.82 25.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 23.5 t -132.08 119.65 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -103.17 143.39 32.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -61.83 127.78 33.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.9 t -77.59 -30.55 52.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.3 t -81.33 -3.97 54.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.127 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -121.18 92.55 0.5 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.519 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 40.3 p -140.36 151.47 45.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.807 0.337 . . . . 0.0 111.167 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.7 p -60.67 143.0 91.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.577 0.703 . . . . 0.0 111.154 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 166.94 26.0 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.698 2.265 . . . . 0.0 112.296 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -72.52 178.83 3.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 44.7 mm -70.82 132.93 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.164 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -86.34 169.71 12.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 24.7 p -59.72 140.53 56.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -82.58 -156.63 20.21 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -177.09 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.712 2.275 . . . . 0.0 112.347 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 58.5 p -144.92 148.28 33.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 73.9 m -46.85 142.48 3.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 t -44.23 -49.27 9.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.2 t -91.05 120.65 32.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.824 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.39 -159.98 30.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.452 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 t -115.82 126.37 53.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 0.0 110.849 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 m -139.47 156.34 47.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.19 79.91 0.21 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.6 mp -120.77 114.4 43.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.366 . . . . 0.0 111.125 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 tp -112.88 75.68 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.96 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.463 ' CD2' ' O ' ' A' ' 12' ' ' GLU . 1.4 t80 -153.39 116.17 4.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.7 mm -61.72 -75.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.463 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 2.1 tp10 -99.92 159.12 15.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -128.98 131.05 23.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.583 0.706 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 82.7 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.694 2.263 . . . . 0.0 112.344 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -70.24 102.87 2.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.03 164.7 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.92 -143.97 3.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.495 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 m -142.73 118.91 10.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 111.169 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.8 p -116.19 144.89 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -76.28 153.75 35.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.76 120.4 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.95 -15.92 61.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.465 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.3 179.04 6.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.902 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -126.07 122.87 37.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.9 tt -123.09 151.67 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.8 m -134.77 142.16 46.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -110.22 142.39 41.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.3 mm -101.94 138.78 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.3 114.9 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.094 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -115.91 156.23 26.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.429 ' CG1' ' HB2' ' A' ' 73' ' ' TYR . 9.8 p -141.94 138.18 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.143 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -77.41 117.6 19.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -115.16 152.78 31.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -116.69 -47.28 2.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -89.73 160.67 16.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.8 mt -104.53 -41.87 5.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.444 ' N ' HD21 ' A' ' 37' ' ' LEU . 3.1 mm? -56.46 -30.87 63.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -96.55 142.77 28.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -134.07 121.44 15.68 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.557 0.694 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 118.29 5.59 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.655 2.236 . . . . 0.0 112.356 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.4 m -83.07 135.69 34.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.182 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.429 HG22 ' CG ' ' A' ' 75' ' ' PHE . 7.9 tt -115.28 125.41 72.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -120.4 117.41 27.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.938 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -83.94 144.17 29.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.969 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.46 ' CE1' ' OD1' ' A' ' 51' ' ' ASP . 52.2 m-85 -140.05 164.52 29.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HD3' ' N ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER -159.79 145.95 15.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.465 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 76.64 -131.38 11.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -104.31 -53.84 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.409 ' CD1' ' N ' ' A' ' 49' ' ' TRP . 0.8 OUTLIER -122.18 -25.95 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.7 ttp -43.19 129.54 4.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.46 ' OD1' ' CE1' ' A' ' 45' ' ' PHE . 42.0 t0 -117.82 106.63 13.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 35.8 mt -53.42 -32.74 51.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -46.58 -53.74 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.28 -11.96 60.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -83.56 -32.4 25.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.7 114.17 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.091 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 161.37 -34.88 0.39 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -100.94 -72.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.553 ' CE1' ' HD2' ' A' ' 81' ' ' LYS . 84.0 m-70 -112.45 7.05 18.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 tp -131.28 145.64 51.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 78' ' ' GLN . 58.0 mm-40 -149.42 124.16 9.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.2 mt -96.31 165.59 12.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -139.98 149.84 43.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -151.81 129.82 11.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.453 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 13.1 t -144.36 159.2 43.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.569 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 44.4 t80 -125.54 146.58 49.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -129.51 92.23 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -33.46 71.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -39.23 -43.2 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.5 p -123.4 2.36 9.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.6 mtt85 62.2 43.5 8.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 71.5 t -126.86 138.59 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.569 ' CE2' ' HB2' ' A' ' 66' ' ' PHE . 67.3 m-85 -98.22 145.69 26.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.453 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 11.0 m -127.41 107.87 10.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 73' ' ' TYR . 9.0 m-85 -109.52 124.67 51.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -113.71 165.33 12.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 35.3 ttp -135.05 100.41 4.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' GLN . 2.4 tt0 -84.53 133.01 34.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.404 HG21 ' CE2' ' A' ' 86' ' ' PHE . 2.2 mt -123.76 103.82 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.415 ' O ' ' O ' ' A' ' 59' ' ' HIS . 1.3 mp -89.51 147.62 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.553 ' HD2' ' CE1' ' A' ' 59' ' ' HIS . 32.2 mttt 44.62 51.41 8.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.12 106.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.414 ' HE2' ' CD2' ' A' ' 59' ' ' HIS . 45.7 mttt -79.73 158.39 26.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.966 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -56.16 -17.59 7.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -80.01 -21.65 43.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.404 ' CE2' HG21 ' A' ' 79' ' ' ILE . 5.0 m-85 -66.28 -5.93 12.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.69 127.59 34.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 166.04 -148.72 14.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -105.73 119.57 39.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -98.71 157.21 16.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -151.64 127.09 10.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 13.2 p -112.26 146.82 37.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -128.07 120.2 26.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.411 ' CG1' ' HB2' ' A' ' 101' ' ' ASP . 9.6 p -116.71 107.54 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.2 p -97.65 157.19 16.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.46 ' O ' ' C ' ' A' ' 97' ' ' LYS . 5.3 t80 -157.57 178.12 10.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 96' ' ' TYR . 28.0 mtpt -32.83 -74.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -133.71 24.35 4.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.804 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -138.3 112.7 8.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -124.27 139.44 53.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.411 ' HB2' ' CG1' ' A' ' 94' ' ' VAL . 32.3 m-20 -129.97 157.22 42.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 55.4 p -143.78 123.02 12.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 62.4 m -123.94 162.42 23.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 90.4 p -139.73 139.41 36.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.581 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 0.1 OUTLIER -133.18 162.27 32.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -111.69 124.73 52.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.416 ' C ' ' CD1' ' A' ' 107' ' ' LEU . 3.2 tm? -110.36 129.47 55.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -109.28 151.02 27.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 39.7 t -130.06 117.99 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -103.26 144.7 31.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -63.83 130.26 43.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.3 t -82.12 16.79 1.82 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 72.6 p -112.21 137.9 49.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 126.76 146.1 6.44 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 50.3 p -93.95 158.87 15.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 111.101 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 61.1 p -57.92 140.71 81.63 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.542 0.686 . . . . 0.0 111.177 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 103.09 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -49.26 153.84 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 24.2 mt -118.36 141.43 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -48.07 105.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.6 m -135.56 159.34 41.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -96.97 128.76 9.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 127.59 14.81 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 89.4 p -66.38 -43.17 86.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.0 t -119.83 110.57 16.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.491 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 p -80.83 162.96 23.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.895 0.379 . . . . 0.0 110.845 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 m -154.25 164.55 38.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.24 -55.14 0.23 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.44 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 t -44.21 116.22 0.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.928 0.394 . . . . 0.0 110.864 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.3 p -132.57 119.78 20.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.07 101.77 0.84 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.458 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp -148.78 170.63 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.51 ' N ' ' CD2' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -104.07 -43.8 5.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -52.78 89.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.498 ' CG2' ' N ' ' A' ' 12' ' ' GLU . 2.2 tp -72.77 -47.58 49.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.498 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 0.4 OUTLIER -89.68 144.54 25.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.493 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 13.2 mmmt -128.5 114.94 19.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.606 0.717 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 97.43 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.311 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' A' ' 13' ' ' LYS . 19.0 mp0 -78.93 115.5 18.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.0 159.77 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.11 -157.69 7.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 m -137.41 114.82 11.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 111.088 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.438 HG13 ' CB ' ' A' ' 82' ' ' ALA . 11.8 p -111.51 142.99 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.423 ' N ' HG23 ' A' ' 19' ' ' VAL . 2.5 tppp? -76.28 150.69 36.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.0 t -59.48 114.88 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.149 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.24 -11.12 60.11 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -81.93 177.25 8.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -122.63 119.78 31.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.504 HD11 ' CZ ' ' A' ' 27' ' ' PHE . 10.7 tt -116.46 153.96 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 m -136.39 132.58 35.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.504 ' CZ ' HD11 ' A' ' 25' ' ' ILE . 86.1 m-85 -109.23 133.43 53.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.6 mm -91.91 127.84 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.34 112.03 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.425 ' HG3' ' CG1' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -128.09 156.48 42.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.3 p -121.86 147.34 25.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -78.86 111.91 15.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -109.6 153.28 24.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -124.18 -47.63 1.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -85.72 140.28 30.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.8 mt -82.08 -50.35 9.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 mt -47.75 -41.37 23.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -83.38 154.43 24.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -146.58 119.88 5.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.534 ' HD2' ' CE1' ' A' ' 73' ' ' TYR . 54.0 Cg_endo -69.73 166.0 29.02 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.8 m -138.34 133.95 33.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.2 tt -104.2 153.65 6.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.544 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -143.56 123.29 13.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -97.72 131.07 44.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.961 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.544 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 54.1 m-85 -126.59 157.47 38.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.559 ' HD3' ' CE1' ' A' ' 90' ' ' TYR . 22.0 tptm -135.95 147.08 47.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.92 -131.3 42.94 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 tttt -103.85 -49.48 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.747 0.308 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 19.3 m95 -116.51 -35.04 4.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.434 ' CE ' HD23 ' A' ' 52' ' ' LEU . 2.1 ttp -42.3 113.9 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -104.13 118.21 36.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.507 HD13 ' CE2' ' A' ' 90' ' ' TYR . 38.5 mt -65.3 -41.49 94.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -42.78 -34.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.0 t -85.34 -29.7 24.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' LEU . 65.7 mmtt -71.58 -28.62 63.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.36 109.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -157.88 -62.26 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.518 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -126.11 -58.4 1.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.334 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 80' ' ' ILE . 87.2 m-70 -71.02 -18.67 62.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.472 ' CD1' HG12 ' A' ' 79' ' ' ILE . 4.2 tp -132.61 145.65 51.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -148.55 124.52 10.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.5 mt -93.15 158.12 15.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -135.21 147.3 49.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -149.99 132.85 16.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.459 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 11.2 t -146.37 152.78 39.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.554 ' HB2' ' CD2' ' A' ' 73' ' ' TYR . 31.8 t80 -119.57 139.57 51.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -121.86 88.68 2.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -53.61 -27.45 26.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -52.79 -34.55 53.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.802 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.3 m -124.61 -6.48 7.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.823 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 64.67 47.44 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.425 ' CG1' ' HG3' ' A' ' 30' ' ' LYS . 87.4 t -139.04 131.03 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.076 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.554 ' CD2' ' HB2' ' A' ' 66' ' ' PHE . 34.8 m-85 -89.63 121.24 31.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.459 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 34.7 m -97.48 103.92 15.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.545 ' CE1' ' HB3' ' A' ' 73' ' ' TYR . 14.7 m-85 -100.78 136.52 40.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -126.94 166.81 16.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 48.1 ttp -134.94 99.04 4.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.32 111.21 20.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.472 HG12 ' CD1' ' A' ' 60' ' ' LEU . 2.7 mt -103.03 108.03 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 59' ' ' HIS . 1.3 mp -92.92 147.44 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.5 mttt 44.63 52.07 7.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.438 ' CB ' HG13 ' A' ' 19' ' ' VAL . . . -56.23 124.42 17.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.065 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -99.6 175.96 5.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.13 -7.7 13.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -90.25 -15.57 31.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.43 ' CD2' HG21 ' A' ' 79' ' ' ILE . 3.0 m-85 -81.15 -6.42 58.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.468 ' HB2' ' N ' ' A' ' 109' ' ' VAL . . . -98.13 113.14 24.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 179.31 -136.56 2.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.512 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -109.95 115.09 29.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.559 ' CE1' ' HD3' ' A' ' 46' ' ' LYS . 7.1 m-85 -95.88 151.82 19.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.466 ' NH1' ' CB ' ' A' ' 104' ' ' SER . 0.1 OUTLIER -137.63 121.35 17.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 36.9 t -111.28 138.67 47.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -139.04 123.04 17.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.1 p -129.26 106.32 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 m -93.17 124.57 37.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -114.56 169.32 9.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -60.17 -49.06 79.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -63.84 -72.6 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -136.99 168.36 19.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -113.11 126.74 55.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -117.4 153.81 32.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.0 t -147.73 158.28 43.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 30.3 p -155.95 161.86 40.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.466 ' CB ' ' NH1' ' A' ' 91' ' ' ARG . 91.2 p -139.96 157.11 46.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.537 ' CD2' ' HB2' ' A' ' 90' ' ' TYR . 1.0 OUTLIER -156.25 -178.09 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -131.08 134.6 46.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.469 ' CD2' ' N ' ' A' ' 108' ' ' GLU . 2.7 tt -113.61 143.24 44.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.469 ' N ' ' CD2' ' A' ' 107' ' ' LEU . 4.0 mm-40 -119.39 153.15 35.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.468 ' N ' ' HB2' ' A' ' 87' ' ' ALA . 66.2 t -134.71 121.83 36.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.173 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -103.34 144.43 31.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -63.78 127.82 33.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.5 t -74.98 102.47 4.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 29.1 m -157.97 135.57 10.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.182 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -39.81 146.69 0.24 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 26.9 m -126.71 135.2 50.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.847 0.356 . . . . 0.0 111.14 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 33.8 p -75.35 149.98 84.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 111.127 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 177.31 5.74 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.703 2.269 . . . . 0.0 112.291 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -132.57 176.4 8.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 71.6 mt -93.28 118.93 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.97 174.71 10.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 55.4 m -100.4 166.48 10.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -96.26 167.59 25.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.509 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 101.25 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.6 t -90.86 163.01 14.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.0 t -56.37 163.2 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.448 -179.948 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 m -97.78 102.28 13.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.3 m -60.93 140.95 57.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.817 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.24 41.84 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.523 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -86.92 94.97 9.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 0.0 110.784 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -93.33 -58.11 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.825 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.82 134.82 3.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.0 mt -111.21 99.79 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 0.0 111.136 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 11' ' ' ILE . 11.2 mp -41.29 -50.49 3.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.451 ' CD2' ' O ' ' A' ' 12' ' ' GLU . 0.3 OUTLIER -60.12 79.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 9' ' ' LEU . 7.9 tt -55.76 -35.58 40.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.451 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.1 tp10 -114.75 155.56 26.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -143.99 140.18 16.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.618 0.723 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 118.37 5.64 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.716 2.278 . . . . 0.0 112.317 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -89.98 20.49 4.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 41.94 -160.78 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 172.04 -151.04 13.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.1 m -141.1 118.84 11.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 111.161 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.405 HG22 ' N ' ' A' ' 20' ' ' LYS . 11.9 p -112.35 139.28 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.156 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' N ' HG22 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -74.3 154.38 38.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.5 t -61.46 119.58 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.91 -17.26 59.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.9 -175.43 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -131.75 122.15 25.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.6 tt -121.29 153.5 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 m -135.26 129.34 33.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.529 ' CD1' ' HE3' ' A' ' 77' ' ' MET . 44.1 m-85 -98.8 151.86 20.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 29' ' ' ALA . 35.3 mm -115.13 135.73 54.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.455 ' N ' HG22 ' A' ' 28' ' ' ILE . . . -158.68 113.43 2.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -113.16 169.73 8.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.453 HG22 ' N ' ' A' ' 32' ' ' LYS . 10.4 p -143.0 140.46 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.453 ' N ' HG22 ' A' ' 31' ' ' VAL . 10.0 tptt -75.89 118.8 19.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.53 159.2 23.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -123.31 -47.75 1.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.45 159.82 17.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.6 mt -105.06 -44.64 4.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -50.08 -40.52 45.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.1 mmt-85 -87.95 151.53 22.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.435 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 31.4 ttmt -144.23 122.01 6.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.553 0.692 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 173.85 10.41 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.637 2.224 . . . . 0.0 112.365 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.0 m -136.69 139.73 42.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.149 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.8 tt -115.4 128.16 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.576 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 2.9 tppp? -121.32 116.54 25.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.604 ' CE3' ' SG ' ' A' ' 92' ' ' CYS . 57.5 m95 -86.11 132.2 34.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.576 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 49.4 m-85 -126.81 149.41 49.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.531 ' HD3' ' CE1' ' A' ' 90' ' ' TYR . 20.0 tptp -125.52 142.46 51.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.97 -130.98 39.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.504 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.45 ' HG2' ' CD1' ' A' ' 49' ' ' TRP . 12.2 ttpt -104.35 -52.78 2.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.45 ' CD1' ' HG2' ' A' ' 48' ' ' LYS . 16.7 m95 -109.47 -37.5 5.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -42.48 116.59 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -108.76 116.49 32.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.523 HD11 ' CE2' ' A' ' 90' ' ' TYR . 54.8 mt -62.05 -43.27 99.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.432 ' CB ' ' HD2' ' A' ' 43' ' ' LYS . . . -41.95 -34.69 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.0 t -85.85 -27.32 25.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 52' ' ' LEU . 35.2 mmtm -75.26 -29.76 60.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.54 110.43 0.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -153.74 -62.25 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.521 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm -131.05 -50.32 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -74.04 -23.88 59.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.431 ' CD1' HG12 ' A' ' 79' ' ' ILE . 3.3 tp -127.47 146.47 50.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.413 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 35.7 mm-40 -149.08 126.41 11.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.2 mt -94.54 165.46 12.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -141.06 145.98 36.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -152.01 126.93 9.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.469 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 15.3 t -141.2 163.92 31.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.562 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 28.0 t80 -127.87 143.26 51.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -122.23 92.86 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -26.52 66.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -54.56 -36.25 64.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 t -123.23 -1.56 8.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 62.51 35.05 14.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.47 HG12 ' N ' ' A' ' 73' ' ' TYR . 81.3 t -126.03 140.62 48.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 66' ' ' PHE . 58.7 m-85 -96.06 148.99 22.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.469 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 28.6 m -124.06 103.85 8.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -100.08 135.53 41.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -132.22 164.48 26.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.529 ' HE3' ' CD1' ' A' ' 27' ' ' PHE . 43.1 ttp -134.97 99.1 4.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -85.13 108.33 17.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.431 HG12 ' CD1' ' A' ' 60' ' ' LEU . 2.4 mt -100.67 114.42 39.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.4 mp -99.47 137.62 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 47.2 mttt 55.42 49.08 17.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.36 113.38 0.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -90.01 167.77 12.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.26 -16.77 15.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -80.53 -15.09 57.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -81.08 -11.26 59.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.04 128.68 34.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.059 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 159.19 -139.76 6.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -111.62 129.12 56.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.594 ' CB ' ' CZ ' ' A' ' 105' ' ' PHE . 5.3 m-85 -106.57 162.67 13.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -148.15 127.96 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.604 ' SG ' ' CE3' ' A' ' 44' ' ' TRP . 10.6 m -116.11 150.01 38.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -144.25 121.32 11.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.8 t -124.09 107.97 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.7 m -100.33 109.09 21.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -104.21 152.52 22.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.411 ' N ' ' HD3' ' A' ' 97' ' ' LYS . 24.1 mmtt -44.85 -49.08 11.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -62.87 -70.94 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.438 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 70.1 mmtt -138.48 167.71 21.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -119.15 123.12 43.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -125.81 146.77 49.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.8 p -138.27 164.73 28.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 14.8 p -158.27 164.1 36.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 60.7 p -137.3 147.11 45.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.594 ' CZ ' ' CB ' ' A' ' 90' ' ' TYR . 41.0 p90 -134.91 -175.02 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.846 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -128.07 133.39 49.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -121.62 132.58 54.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -115.21 153.9 30.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 39.5 t -133.45 118.75 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -103.0 142.73 33.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.825 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -60.52 129.91 43.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 44.8 t -80.15 88.71 5.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 55.2 p -124.01 149.29 46.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -124.16 133.57 8.79 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.512 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 6.1 t -85.76 129.82 34.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 111.15 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 37.0 p -126.51 143.62 46.81 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.572 0.701 . . . . 0.0 111.104 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 96.37 0.59 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.713 2.275 . . . . 0.0 112.375 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.89 175.12 10.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 5.2 mp -41.9 117.32 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -70.16 136.09 49.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 86.0 p -51.06 124.43 11.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -107.79 85.65 0.42 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -1.78 9.05 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.694 2.263 . . . . 0.0 112.331 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 55.3 p -38.88 -60.0 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.3 p 49.03 30.85 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 -179.964 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 m -68.76 158.42 34.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.876 0.37 . . . . 0.0 110.848 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -87.5 146.3 25.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.17 79.52 0.27 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 t -145.59 140.93 27.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.379 . . . . 0.0 110.857 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.6 p -173.63 149.69 1.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.79 152.81 7.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.77 120.3 62.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 111.122 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 9' ' ' LEU . 4.1 mm? -102.41 -40.8 6.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.577 ' CD2' ' O ' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -91.59 78.16 5.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 12' ' ' GLU . 2.2 tp -45.89 -42.59 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.577 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 7.3 tp10 -114.97 158.67 21.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -140.07 130.93 14.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 113.53 3.41 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.376 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -87.24 27.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 37.89 -157.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 171.18 -156.4 26.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.474 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.426 HG21 ' C ' ' A' ' 108' ' ' GLU . 7.1 m -138.95 115.62 10.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 0.0 111.151 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.442 HG23 ' N ' ' A' ' 20' ' ' LYS . 12.1 p -110.25 141.72 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.442 ' N ' HG23 ' A' ' 19' ' ' VAL . 0.7 OUTLIER -73.97 152.41 40.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.901 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.402 HG22 ' CG1' ' A' ' 109' ' ' VAL . 70.2 t -60.13 119.72 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.24 -17.39 59.21 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 1.6 mp0 -77.29 179.44 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.866 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -125.34 126.87 45.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.2 tt -122.97 155.56 28.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 m -138.66 137.24 36.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -108.78 146.76 33.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.8 mm -110.31 130.99 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.144 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.84 113.0 4.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -110.73 160.73 16.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.7 t -136.88 134.64 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -76.67 114.73 15.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -122.21 144.71 48.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.441 ' O ' ' CD ' ' A' ' 71' ' ' ARG . 36.3 mt-10 -109.52 -51.12 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -83.89 161.97 20.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.8 mt -104.31 -39.97 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -48.78 -44.84 39.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -84.67 136.21 33.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.493 ' HG2' ' CE2' ' A' ' 73' ' ' TYR . 0.5 OUTLIER -120.29 118.56 31.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 110.893 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.495 ' HD2' ' CZ ' ' A' ' 73' ' ' TYR . 53.3 Cg_endo -69.77 105.37 1.47 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.283 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.43 ' C ' HG23 ' A' ' 94' ' ' VAL . 9.5 m -85.03 129.01 34.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.514 HG22 ' CG ' ' A' ' 75' ' ' PHE . 6.6 tt -108.22 145.95 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -138.2 116.99 12.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 55.1 m95 -83.82 134.93 34.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.956 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -127.5 165.64 19.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.03 153.96 38.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.03 -131.93 36.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.534 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 49' ' ' TRP . 12.9 mmtm -104.46 -51.9 3.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.75 0.309 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.566 ' CD1' ' HB3' ' A' ' 48' ' ' LYS . 1.1 m95 -133.48 38.19 3.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.7 ttp -98.96 134.42 41.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -110.12 116.29 31.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.0 mt -73.34 -40.02 64.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -41.01 -43.1 2.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.9 t -75.06 -36.96 61.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.9 mmtt -65.39 -33.15 75.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.38 107.8 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -146.41 -67.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.527 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.4 mtmm -126.16 -56.08 1.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.405 ' O ' ' N ' ' A' ' 80' ' ' ILE . 94.8 m-70 -66.18 -31.6 72.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.876 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.474 ' CD1' HG12 ' A' ' 79' ' ' ILE . 3.0 tp -119.78 146.31 45.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.412 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 41.5 mm-40 -149.74 126.81 11.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.453 ' CD2' ' HG3' ' A' ' 77' ' ' MET . 23.6 mt -93.6 162.92 13.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.8 tttm -136.5 146.77 46.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -151.46 131.14 13.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.47 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 7.0 t -146.32 149.83 34.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.667 ' CE1' ' CE1' ' A' ' 73' ' ' TYR . 66.2 t80 -120.37 144.5 47.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -129.84 88.95 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -50.33 -36.39 31.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.812 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 68' ' ' ARG . 1.5 m-70 -34.73 -63.23 0.32 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.3 p -102.29 -1.51 30.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.441 ' CD ' ' O ' ' A' ' 34' ' ' GLU . 17.0 mtt85 64.15 37.43 8.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 90.0 t -120.94 131.26 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.667 ' CE1' ' CE1' ' A' ' 66' ' ' PHE . 29.1 m-85 -89.65 140.62 29.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.47 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 17.8 m -121.92 110.14 15.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.127 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.514 ' CG ' HG22 ' A' ' 42' ' ' ILE . 25.7 m-85 -111.45 136.4 50.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.454 ' OE2' ' C ' ' A' ' 75' ' ' PHE . 1.6 mp0 -130.5 167.69 18.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.453 ' HG3' ' CD2' ' A' ' 62' ' ' LEU . 44.7 ttp -134.99 101.8 5.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -87.5 110.47 20.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.474 HG12 ' CD1' ' A' ' 60' ' ' LEU . 3.2 mt -102.32 114.7 42.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 59' ' ' HIS . 2.3 mp -100.34 135.59 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 53.2 mttt 57.9 48.42 13.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.05 111.96 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.067 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -87.52 160.92 18.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -55.29 -20.87 12.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -74.67 -22.4 58.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -70.9 -18.02 62.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.36 110.29 8.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 179.06 -159.35 24.14 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.452 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -85.87 133.15 33.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 13.0 m-85 -119.58 124.7 47.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -114.85 120.99 41.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 32.1 p -105.24 129.3 53.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -134.23 117.37 16.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.43 HG23 ' C ' ' A' ' 41' ' ' THR . 2.9 p -135.67 112.16 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.518 ' HA ' ' CB ' ' A' ' 100' ' ' PHE . 31.3 m -93.47 155.53 17.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.572 ' CE2' ' HD2' ' A' ' 97' ' ' LYS . 15.5 t80 -116.99 -73.67 0.63 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.572 ' HD2' ' CE2' ' A' ' 96' ' ' TYR . 32.4 mtpt -120.27 -76.94 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.92 -46.99 2.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm -107.3 120.92 43.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.518 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 11.3 p90 -121.33 170.74 9.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -134.86 114.69 12.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.8 p -104.66 170.47 7.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 2.0 t -148.02 176.81 9.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 84.2 p -141.81 137.51 31.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 90' ' ' TYR . 5.0 p90 -137.8 154.13 49.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -106.24 131.65 53.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.453 HD13 ' N ' ' A' ' 108' ' ' GLU . 3.3 tm? -108.99 125.69 52.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.453 ' N ' HD13 ' A' ' 107' ' ' LEU . 37.0 mt-10 -105.02 152.7 22.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.402 ' CG1' HG22 ' A' ' 21' ' ' VAL . 36.7 t -134.56 120.55 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.142 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -103.27 146.55 28.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.74 125.36 25.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.9 t -71.43 137.9 48.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 29.4 p -45.96 143.83 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 134.87 59.79 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 9.1 t -139.58 146.53 39.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.87 0.366 . . . . 0.0 111.144 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 80.3 p -81.26 148.01 62.13 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.557 0.694 . . . . 0.0 111.146 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 123.58 10.22 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.343 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.404 ' CG ' ' N ' ' A' ' 119' ' ' ILE . 27.1 t-20 -97.43 168.17 10.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.404 ' N ' ' CG ' ' A' ' 118' ' ' ASN . 21.2 mm -91.02 134.69 28.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -123.8 156.5 35.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.6 t -121.86 151.08 41.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.804 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -156.0 144.16 10.58 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 157.03 61.83 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.665 2.244 . . . . 0.0 112.351 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 35.6 m -128.23 145.98 50.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 41.3 t -78.22 142.67 37.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 t -56.49 121.85 10.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 110.866 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -115.77 162.41 17.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.68 -173.24 33.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -123.71 165.42 17.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 m -69.48 -58.65 3.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.61 84.63 0.5 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 64.7 mt -127.54 -52.58 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.897 0.38 . . . . 0.0 111.15 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.448 ' CD1' ' HB2' ' A' ' 99' ' ' LYS . 2.2 mt -51.29 -36.64 43.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.957 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.564 ' CD1' HG11 ' A' ' 94' ' ' VAL . 2.0 t80 -71.33 87.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.466 HD12 ' CD ' ' A' ' 32' ' ' LYS . 22.1 mm -41.28 -72.04 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.079 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.477 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 1.3 tp10 -101.88 148.1 25.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -125.38 128.41 24.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.558 0.694 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 106.93 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.348 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' GLY . 76.2 mm-40 -83.71 38.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' GLN . . . 37.08 -156.39 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 173.43 -150.13 11.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.2 m -142.54 114.3 8.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.853 0.359 . . . . 0.0 111.119 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.422 HG23 ' N ' ' A' ' 20' ' ' LYS . 13.9 p -113.52 141.88 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' N ' HG23 ' A' ' 19' ' ' VAL . 5.2 tppt? -73.59 153.26 40.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.75 116.43 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.15 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.55 -6.62 61.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -85.53 -176.26 6.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.37 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -126.59 128.49 46.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.3 tt -127.13 157.61 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.8 m -137.94 138.79 39.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.572 ' CE2' ' HE3' ' A' ' 77' ' ' MET . 61.4 m-85 -110.55 140.19 45.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.9 mm -101.98 142.05 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -157.99 112.94 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 mtmm -112.09 153.17 27.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.3 t -137.73 136.93 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.466 ' CD ' HD12 ' A' ' 11' ' ' ILE . 3.3 tptm -76.35 119.82 20.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.14 145.12 44.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.45 ' O ' ' NH1' ' A' ' 71' ' ' ARG . 55.2 mt-10 -105.77 -39.46 6.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -100.27 152.35 20.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 mt -111.45 4.19 18.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.5 mt -89.04 -27.96 20.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -103.79 178.52 4.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -148.59 121.56 4.57 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.56 0.695 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 120.53 7.3 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.379 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.8 m -79.92 138.65 37.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.524 HG22 ' CG ' ' A' ' 75' ' ' PHE . 17.2 tt -128.2 124.0 61.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.467 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 1.6 tppt? -121.32 126.66 50.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -94.15 130.07 40.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.467 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 48.2 m-85 -125.5 146.4 49.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.564 ' HD3' ' CE1' ' A' ' 90' ' ' TYR . 25.2 tptp -122.29 148.95 44.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.85 -130.83 51.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.46 ' HD2' ' NE1' ' A' ' 49' ' ' TRP . 8.5 tmtm? -104.67 -55.8 2.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.757 0.313 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.46 ' NE1' ' HD2' ' A' ' 48' ' ' LYS . 12.7 m95 -103.1 -35.64 8.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.543 ' CE ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -41.97 127.31 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.44 ' OD2' ' CE1' ' A' ' 45' ' ' PHE . 56.9 t0 -121.66 109.79 15.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.543 ' CD2' ' CE ' ' A' ' 50' ' ' MET . 14.4 mt -60.36 -35.14 74.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.447 ' CB ' ' HD2' ' A' ' 43' ' ' LYS . . . -44.69 -46.55 10.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.2 t -79.25 -32.29 43.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.4 -24.59 67.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.407 ' N ' HD23 ' A' ' 60' ' ' LEU . . . -57.54 113.82 1.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.22 -79.16 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -117.62 -37.24 3.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 80' ' ' ILE . 76.7 m-70 -90.63 -7.36 52.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.462 ' CD1' HG12 ' A' ' 79' ' ' ILE . 4.4 tp -145.97 147.6 31.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.429 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 7.5 mm-40 -148.15 124.66 11.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.3 mt -93.0 150.89 20.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -128.92 153.27 47.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -152.77 132.89 13.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.469 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 7.3 t -148.52 153.29 38.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.571 ' CE1' ' CE1' ' A' ' 73' ' ' TYR . 41.5 t80 -123.77 145.93 48.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -130.15 91.73 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -32.89 72.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -44.26 -39.73 4.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.72 6.44 9.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.816 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.45 ' NH1' ' O ' ' A' ' 34' ' ' GLU . 12.8 mtm180 52.95 50.88 16.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 78.5 t -140.17 129.99 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.09 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.571 ' CE1' ' CE1' ' A' ' 66' ' ' PHE . 48.2 m-85 -89.83 144.74 25.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.469 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 85.8 m -127.01 108.6 11.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.524 ' CG ' HG22 ' A' ' 42' ' ' ILE . 50.3 m-85 -108.17 126.36 52.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -114.81 168.4 9.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.572 ' HE3' ' CE2' ' A' ' 27' ' ' PHE . 10.3 tmm? -141.25 105.27 4.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -86.52 138.18 31.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.503 ' CG1' ' SD ' ' A' ' 77' ' ' MET . 2.3 mt -125.78 102.88 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -91.08 135.72 26.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 36.3 mttt 57.27 48.16 15.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.17 118.69 3.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.053 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -94.55 164.64 12.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.98 -29.85 31.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -68.23 -23.72 64.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -72.57 1.0 9.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.38 152.55 18.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.105 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.69 -133.71 6.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.445 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -116.01 130.4 56.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.886 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 6.8 m-85 -101.8 170.12 8.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -153.65 121.7 6.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 20.1 t -108.73 126.06 52.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -115.83 118.65 33.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.564 HG11 ' CD1' ' A' ' 10' ' ' PHE . 5.1 p -123.5 109.34 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.9 m -102.72 136.32 42.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.133 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.486 ' CD2' ' OD2' ' A' ' 98' ' ' ASP . 4.7 t80 -139.32 176.66 8.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.497 ' HD2' ' N ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -63.03 -71.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.894 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.486 ' OD2' ' CD2' ' A' ' 96' ' ' TYR . 0.1 OUTLIER -40.13 -75.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.448 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 63.6 mmtt -139.25 168.89 18.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.447 ' CE1' ' OG ' ' A' ' 102' ' ' SER . 0.9 OUTLIER -119.56 118.0 29.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -110.57 155.9 21.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.447 ' OG ' ' CE1' ' A' ' 100' ' ' PHE . 34.3 m -149.24 128.21 12.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.2 m -127.27 171.63 11.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 85.4 p -141.77 161.22 38.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 90' ' ' TYR . 2.3 p90 -146.12 -176.92 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -124.73 138.31 54.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.417 HD11 ' C ' ' A' ' 107' ' ' LEU . 2.9 tm? -126.0 129.27 48.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -110.89 147.51 34.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.19 120.81 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.067 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -103.13 153.18 20.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -73.28 125.3 27.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.488 ' O ' ' CG2' ' A' ' 113' ' ' THR . 6.9 t -68.08 125.66 27.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 112' ' ' SER . 38.4 p -162.42 141.4 9.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.171 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -67.11 71.87 0.2 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 70.4 p -140.47 162.78 34.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 111.132 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 76.0 p -132.18 140.58 38.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.642 0.734 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 149.92 67.71 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.685 2.257 . . . . 0.0 112.328 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -63.7 147.74 50.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 18.1 mt -111.22 125.57 68.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 121' ' ' SER . 4.1 p-10 -148.87 138.41 21.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 120' ' ' ASP . 33.5 t -37.6 146.68 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 89.29 69.37 1.25 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.509 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -49.67 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.677 2.251 . . . . 0.0 112.316 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 81.5 p -165.41 168.37 16.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.2 m -146.44 139.87 25.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.461 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 m -131.22 113.04 13.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 0.0 110.909 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -47.46 132.43 13.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.68 88.11 0.4 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.0 t -149.93 167.14 27.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 m -115.77 -41.33 3.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.827 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.29 135.99 13.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.447 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.89 129.98 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 111.096 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.8 mt -87.86 -179.06 6.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 29' ' ' ALA . 0.4 OUTLIER 54.88 45.99 25.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 12' ' ' GLU . 2.3 tp -37.96 -46.74 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.47 ' N ' HG22 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -95.96 146.03 24.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.468 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 33.7 mttt -120.5 108.28 37.79 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.711 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 85.97 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.656 2.238 . . . . 0.0 112.362 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -68.5 105.77 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.47 156.42 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.468 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -134.35 -141.02 4.39 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.441 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 m -139.65 115.53 10.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 111.117 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.6 p -116.46 142.29 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' CB ' ' OE1' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -74.38 153.68 39.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.4 t -62.38 119.87 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.48 -13.8 62.55 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.442 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.405 ' OE1' ' CB ' ' A' ' 20' ' ' LYS . 12.3 mt-10 -77.11 -177.33 4.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -129.44 117.59 20.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.3 tt -117.9 154.61 19.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.6 m -139.27 143.5 37.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -115.07 145.77 41.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.4 mm -107.26 132.17 55.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . . . -152.2 113.28 4.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.07 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -113.06 154.39 26.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.7 t -123.99 141.46 44.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -75.89 117.65 17.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -120.25 151.99 38.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -120.36 -48.48 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.57 168.05 11.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.0 mt -111.58 -29.98 7.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.56 -37.75 76.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -91.06 152.3 20.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -142.68 115.7 6.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.518 ' HD2' ' CZ ' ' A' ' 73' ' ' TYR . 53.1 Cg_endo -69.84 166.06 28.98 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.319 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.2 m -135.95 134.99 39.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.512 HG23 ' CG ' ' A' ' 75' ' ' PHE . 19.3 tt -111.12 127.3 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.437 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 7.3 tppt? -117.0 120.44 38.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.521 ' CE3' ' SD ' ' A' ' 77' ' ' MET . 29.2 m95 -90.25 129.46 36.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.437 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 48.5 m-85 -123.54 146.97 47.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 47' ' ' GLY . 25.4 tptp -123.52 153.96 39.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.829 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.462 ' N ' ' HG3' ' A' ' 46' ' ' LYS . . . 62.67 -125.45 35.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -104.08 -52.87 2.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.713 0.292 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -134.33 36.89 3.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.454 ' CB ' ' O ' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -92.16 127.77 37.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.85 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -103.2 108.95 20.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.435 HD23 ' CB ' ' A' ' 46' ' ' LYS . 20.1 mt -72.57 -27.86 62.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -45.43 -57.92 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.49 -27.22 65.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.437 ' CE ' ' SD ' ' A' ' 50' ' ' MET . 35.9 mmtt -71.87 -29.67 64.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.3 109.72 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.489 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . -147.34 -73.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -117.23 -57.21 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' A' ' 80' ' ' ILE . 87.9 m-70 -65.49 -34.58 78.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.469 ' CD1' HG12 ' A' ' 79' ' ' ILE . 3.4 tp -119.17 146.22 45.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 23.6 mm-40 -148.74 125.65 11.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.1 mt -96.29 154.47 17.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.42 ' HE3' ' CD ' ' A' ' 76' ' ' GLU . 13.1 ttpp -130.23 147.88 52.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -152.5 131.19 12.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.476 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 11.4 t -147.94 166.33 28.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.14 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.406 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 68.6 t80 -136.95 145.8 44.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -127.95 101.46 6.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -26.65 68.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -50.74 -39.24 51.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 t -119.71 -1.91 10.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.1 mtt85 59.67 45.42 13.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 73' ' ' TYR . 91.8 t -136.49 136.7 48.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.518 ' CZ ' ' HD2' ' A' ' 40' ' ' PRO . 51.0 m-85 -89.83 145.52 25.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.476 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 30.0 m -124.48 103.4 8.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.512 ' CG ' HG23 ' A' ' 42' ' ' ILE . 9.9 m-85 -104.09 138.14 41.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.507 ' N ' ' OE1' ' A' ' 76' ' ' GLU . 15.5 mp0 -131.02 165.65 22.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.521 ' SD ' ' CE3' ' A' ' 44' ' ' TRP . 39.9 ttp -134.96 98.1 3.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -86.23 112.88 21.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.469 HG12 ' CD1' ' A' ' 60' ' ' LEU . 2.8 mt -105.89 111.27 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' ' 59' ' ' HIS . 1.9 mp -98.47 141.05 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.153 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.8 mttm 55.78 45.93 23.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.19 114.57 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -92.54 166.71 12.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.34 -23.67 38.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -73.84 -18.36 60.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -77.75 -15.39 59.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.407 ' CB ' ' CG2' ' A' ' 109' ' ' VAL . . . -82.9 138.24 33.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 152.62 -121.08 1.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -128.63 122.37 30.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 110.838 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.647 ' CB ' ' CE2' ' A' ' 105' ' ' PHE . 20.7 m-85 -97.63 168.75 10.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.1 ttt85 -149.14 157.08 43.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.432 ' HG ' ' N ' ' A' ' 93' ' ' GLU . 2.0 t -142.96 144.48 32.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.432 ' N ' ' HG ' ' A' ' 92' ' ' CYS . 17.1 mp0 -142.86 118.18 10.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.5 p -126.25 128.63 71.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.7 p -111.76 174.47 5.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.16 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.481 ' O ' ' C ' ' A' ' 97' ' ' LYS . 4.4 t80 -168.87 -179.03 3.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.481 ' C ' ' O ' ' A' ' 96' ' ' TYR . 27.8 mtpt -30.6 -75.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -134.49 28.72 3.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.816 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -138.94 129.65 26.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -144.97 141.83 29.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -147.88 143.08 27.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.4 p -119.8 153.66 35.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 7.9 t -153.72 144.77 22.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 88.5 p -125.72 153.37 44.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.647 ' CE2' ' CB ' ' A' ' 90' ' ' TYR . 0.7 OUTLIER -139.66 -177.82 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.923 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -127.06 131.19 50.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -117.0 130.39 56.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -107.77 144.33 35.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.407 ' CG2' ' CB ' ' A' ' 87' ' ' ALA . 39.1 t -127.68 120.3 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -103.06 140.93 36.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -61.45 127.8 33.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.1 t -76.38 81.69 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 62.8 p -95.24 149.35 21.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.08 -113.25 0.27 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.47 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 13.8 t -81.23 125.77 30.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 111.146 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.7 p -85.97 151.52 54.82 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.548 0.689 . . . . 0.0 111.132 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 178.14 4.89 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.663 2.242 . . . . 0.0 112.31 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -45.23 162.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 56.3 mt -144.75 137.75 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -73.17 99.6 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.3 m -71.15 166.75 20.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -89.61 134.32 12.31 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 2.28 3.69 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.31 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.5 p 67.84 38.21 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 7.9 t -151.11 136.55 17.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -86.56 -51.19 6.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.86 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.4 p -138.56 148.05 43.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.7 113.23 3.63 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.0 p -116.53 -46.99 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.848 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.3 p -131.53 152.45 50.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.89 126.99 5.44 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.513 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.1 mt -130.5 -52.1 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 111.112 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 11' ' ' ILE . 5.3 tt -76.48 -61.02 2.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 12' ' ' GLU . 2.0 t80 -41.86 91.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.513 ' N ' ' O ' ' A' ' 9' ' ' LEU . 29.7 mm -37.61 -67.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.583 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -109.6 147.38 33.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -126.96 133.55 25.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.554 0.692 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 111.55 2.85 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.315 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -90.57 30.31 1.17 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 42.55 -166.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.6 -151.19 10.21 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 m -140.8 120.86 13.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 111.163 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.407 HG21 ' N ' ' A' ' 20' ' ' LYS . 7.7 p -118.85 142.93 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.434 ' CB ' ' OE1' ' A' ' 23' ' ' GLU . 2.4 tppp? -74.28 154.25 39.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.1 t -62.47 117.2 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.05 -4.98 61.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.465 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.434 ' OE1' ' CB ' ' A' ' 20' ' ' LYS . 25.9 mt-10 -86.89 175.92 7.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.866 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -120.56 124.26 44.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.7 tt -123.8 152.04 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.6 m -136.79 131.05 32.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.563 ' CE1' ' HE3' ' A' ' 77' ' ' MET . 32.0 m-85 -101.58 138.96 37.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 32.9 mm -97.87 146.07 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -158.07 113.38 2.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -112.84 154.95 25.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 73' ' ' TYR . 7.2 p -141.92 140.17 30.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -80.36 118.1 21.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -118.69 132.44 56.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -110.71 35.39 3.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -166.21 158.54 14.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.1 mt -116.78 -29.6 6.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.48 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 2.8 mp -59.46 -32.57 70.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -109.41 160.59 16.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.558 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 35.4 ttmt -140.22 126.95 12.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.579 0.704 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 128.35 15.9 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.708 2.272 . . . . 0.0 112.289 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.4 m -92.29 130.16 38.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.2 tt -105.83 150.84 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.142 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.548 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 2.6 tppp? -144.79 116.62 8.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -88.88 141.82 28.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.548 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 66.0 m-85 -135.93 176.5 8.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.486 ' HG3' ' N ' ' A' ' 47' ' ' GLY . 13.2 tttm -166.09 152.56 9.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.486 ' N ' ' HG3' ' A' ' 46' ' ' LYS . . . 68.96 -130.51 24.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.479 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.442 ' HG2' ' NE1' ' A' ' 49' ' ' TRP . 1.2 ttmp? -104.36 -55.26 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.741 0.305 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.442 ' NE1' ' HG2' ' A' ' 48' ' ' LYS . 11.2 m95 -132.87 39.13 3.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.467 ' CE ' ' CD2' ' A' ' 52' ' ' LEU . 6.4 ttp -100.41 124.5 46.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.49 ' OD1' ' CB ' ' A' ' 53' ' ' ALA . 7.2 t70 -103.39 101.14 11.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.467 ' CD2' ' CE ' ' A' ' 50' ' ' MET . 65.0 mt -59.53 -28.99 67.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.49 ' CB ' ' OD1' ' A' ' 51' ' ' ASP . . . -49.18 -57.31 6.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.81 -22.97 63.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -71.47 -32.86 68.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.85 117.19 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.49 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . -151.81 -73.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.452 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -120.26 -54.65 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.479 ' O ' ' N ' ' A' ' 80' ' ' ILE . 97.6 m-70 -69.98 -31.21 68.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.828 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.464 ' CD1' HG12 ' A' ' 79' ' ' ILE . 4.8 tp -117.46 144.23 45.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 44.9 mm-40 -149.01 122.51 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.424 ' CD2' ' HG2' ' A' ' 77' ' ' MET . 13.3 mt -91.49 163.19 14.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.14 149.95 47.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.402 ' C ' ' OE2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -148.77 132.43 16.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.7 t -148.16 158.67 44.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.453 ' HB2' ' CD2' ' A' ' 73' ' ' TYR . 31.8 t80 -129.45 152.82 48.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 71' ' ' ARG . 39.9 mt-10 -130.1 92.72 3.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -41.22 98.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -51.64 -24.53 5.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.4 t -124.23 -5.84 7.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 67' ' ' GLU . 13.9 mtt180 55.89 50.74 13.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 72.4 t -142.14 128.97 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.558 ' CE2' ' HG3' ' A' ' 39' ' ' LYS . 65.1 m-85 -90.24 135.56 33.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.0 m -122.68 115.59 22.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -113.53 128.58 56.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -115.74 167.38 10.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.563 ' HE3' ' CE1' ' A' ' 27' ' ' PHE . 10.4 tmm? -138.3 105.26 5.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -88.3 138.3 31.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.506 ' CG1' ' SD ' ' A' ' 77' ' ' MET . 2.6 mt -127.07 104.1 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 59' ' ' HIS . 1.1 mp -92.28 133.81 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 43.1 mttt 62.0 47.23 5.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.17 109.87 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.068 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -87.65 169.65 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -17.85 35.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -78.04 -16.7 57.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.45 ' CE2' HG22 ' A' ' 79' ' ' ILE . 3.9 m-85 -79.63 -4.73 52.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.62 111.09 22.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -178.92 -126.08 0.98 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.51 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -121.62 126.58 49.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.358 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.57 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 12.3 m-85 -111.11 136.47 50.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -129.1 127.48 41.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 8.4 t -111.95 147.5 35.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -141.42 125.57 17.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.526 HG11 ' CE1' ' A' ' 10' ' ' PHE . 3.8 p -130.64 107.42 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -97.7 107.37 19.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -101.48 148.69 24.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -46.85 -41.22 15.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.929 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -69.94 -70.75 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -138.33 166.11 25.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -117.91 128.09 54.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -123.91 153.77 40.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.6 p -138.88 158.36 44.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 28.4 p -164.02 143.44 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 t -125.08 160.36 29.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 90' ' ' TYR . 22.9 p90 -153.68 169.95 22.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.841 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -116.86 130.15 56.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -109.54 127.26 54.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -106.01 146.96 29.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.2 t -129.39 119.91 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -103.11 143.75 32.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -64.5 125.57 25.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.5 t -76.25 82.78 3.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 14.4 t -117.34 153.93 32.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.17 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -70.98 171.55 45.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.518 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 14.5 t -100.06 136.38 40.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 0.0 111.117 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 22.8 p -81.88 152.87 69.54 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.568 0.699 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 164.86 32.96 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.701 2.267 . . . . 0.0 112.319 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -151.4 173.02 15.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 46.2 mt -111.66 139.22 36.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.156 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -85.71 120.9 27.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.825 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 48.6 m -49.84 161.84 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -95.86 145.47 17.8 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 145.54 57.45 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.625 2.216 . . . . 0.0 112.385 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 35.7 m -120.06 95.17 4.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.824 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.0 p -70.09 151.56 45.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.828 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m -144.47 122.35 11.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.2 m -106.28 -46.89 3.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.39 -167.0 6.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.447 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 m -110.89 101.3 9.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 0.0 110.823 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -103.42 -47.25 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.49 106.46 0.25 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.2 tp -94.28 128.76 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.351 . . . . 0.0 111.117 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 tp -129.31 160.95 31.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 72.52 50.83 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.446 HG21 ' N ' ' A' ' 12' ' ' GLU . 2.5 tp -42.04 -36.29 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.446 ' N ' HG21 ' A' ' 11' ' ' ILE . 19.6 tp10 -104.55 152.62 22.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -134.57 124.13 16.77 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.576 0.703 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 102.94 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.668 2.245 . . . . 0.0 112.327 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -82.91 108.0 15.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.77 170.21 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -157.56 -154.91 7.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.422 HG21 ' CB ' ' A' ' 108' ' ' GLU . 3.8 m -136.39 117.15 14.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.823 0.344 . . . . 0.0 111.182 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 p -112.58 140.21 33.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.424 ' HB3' ' CD ' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -73.74 153.59 39.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.1 t -61.14 123.0 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.78 -17.17 59.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 2.5 mp0 -78.16 -177.08 4.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.12 140.16 51.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.4 tt -131.89 156.78 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 m -139.66 124.86 18.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -100.79 142.62 32.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.0 mm -99.55 126.99 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.93 111.11 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 ptpp? -132.18 139.92 48.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.5 t -109.48 148.92 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -76.1 123.57 26.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -124.7 159.82 29.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -125.4 -44.78 1.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.06 170.83 10.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.3 mt -110.14 -35.61 6.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -59.53 -38.19 80.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.7 mmt-85 -90.19 125.89 35.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.419 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 4.3 ttpm? -118.3 110.94 38.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.566 0.698 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 108.81 2.16 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.731 2.287 . . . . 0.0 112.341 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.449 HG23 ' N ' ' A' ' 42' ' ' ILE . 98.3 m -85.2 143.7 28.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.488 HG23 ' CG ' ' A' ' 75' ' ' PHE . 17.0 tt -113.61 132.98 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.069 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.578 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 1.5 tppp? -116.62 124.82 50.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.502 ' CE3' ' SD ' ' A' ' 77' ' ' MET . 27.9 m95 -95.42 122.83 38.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.595 ' CE1' ' OD1' ' A' ' 51' ' ' ASP . 64.0 m-85 -119.44 162.53 18.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 47' ' ' GLY . 16.8 tttm -149.28 152.01 35.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.459 ' N ' ' HG3' ' A' ' 46' ' ' LYS . . . 71.24 -132.41 21.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.5 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.5 tttt -104.3 -44.81 4.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.706 0.289 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -127.05 -29.28 2.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.3 ttp -42.28 132.1 3.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.934 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.595 ' OD1' ' CE1' ' A' ' 45' ' ' PHE . 29.6 t0 -117.33 105.47 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.545 HD12 ' CD2' ' A' ' 90' ' ' TYR . 33.2 mt -48.95 -42.92 39.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -42.03 -40.49 2.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.5 t -75.89 -32.76 59.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 52' ' ' LEU . 74.0 mmtt -69.45 -33.13 72.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.15 108.19 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -154.06 -54.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.46 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -133.04 -60.98 0.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.783 0.325 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -67.63 -29.29 68.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.457 ' CD1' HG12 ' A' ' 79' ' ' ILE . 3.8 tp -119.75 144.69 47.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.419 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 36.0 mm-40 -148.92 125.02 10.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.3 mt -91.67 165.2 13.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.17 145.79 41.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -152.44 127.67 9.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.407 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 11.1 t -139.85 167.16 22.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.56 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 73.9 t80 -134.23 144.14 48.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -128.68 93.0 3.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -35.32 33.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -39.31 -59.78 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 60.6 p -102.96 -6.57 22.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 65.64 47.4 2.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.9 t -134.21 132.63 55.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.56 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 26.4 m-85 -89.49 121.62 31.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.949 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.407 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 41.6 m -99.64 106.55 18.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.174 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.504 ' CZ ' ' CB ' ' A' ' 73' ' ' TYR . 6.4 m-85 -103.73 147.79 26.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -140.27 169.29 17.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.502 ' SD ' ' CE3' ' A' ' 44' ' ' TRP . 37.9 ttp -134.81 101.79 5.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -90.01 112.12 23.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.457 HG12 ' CD1' ' A' ' 60' ' ' LEU . 2.3 mt -104.48 115.19 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.9 mp -100.41 132.97 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.1 mttm 64.28 46.79 3.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.57 101.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.435 ' HB2' ' ND2' ' A' ' 85' ' ' ASN . 36.3 mttt -81.78 167.82 18.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.21 -23.46 47.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.435 ' ND2' ' HB2' ' A' ' 83' ' ' LYS . 0.5 OUTLIER -72.36 -21.2 61.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -73.97 -15.89 61.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.441 ' N ' HG22 ' A' ' 109' ' ' VAL . . . -81.13 117.25 21.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 169.31 -140.54 6.18 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -101.82 143.91 31.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 24.0 m-85 -128.74 144.08 51.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -127.74 150.45 49.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 10.5 m -129.69 132.85 46.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -128.75 121.4 28.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.487 ' O ' ' CD2' ' A' ' 100' ' ' PHE . 91.4 t -129.74 131.95 66.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -131.13 99.42 4.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.518 ' CZ ' ' HD2' ' A' ' 97' ' ' LYS . 8.1 t80 -78.55 -76.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.518 ' HD2' ' CZ ' ' A' ' 96' ' ' TYR . 32.5 mtpt -135.04 -76.07 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.14 11.0 10.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.852 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -130.6 108.65 10.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.487 ' CD2' ' O ' ' A' ' 94' ' ' VAL . 2.8 t80 -115.83 136.63 52.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.89 144.5 51.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 68.3 p -131.95 126.78 34.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 25.1 t -133.61 134.84 43.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 78.1 p -115.45 135.9 53.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 90' ' ' TYR . 3.6 p90 -119.37 -174.82 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -126.6 128.53 46.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -115.54 124.01 49.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.422 ' CB ' HG21 ' A' ' 18' ' ' THR . 20.4 mt-10 -105.17 148.82 26.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.441 HG22 ' N ' ' A' ' 87' ' ' ALA . 39.1 t -131.18 116.9 34.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -102.86 145.1 30.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -61.99 128.37 35.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.6 t -81.68 148.43 29.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 84.9 m -107.58 89.3 2.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -57.34 152.81 24.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.431 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.0 t -139.66 147.54 41.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 0.0 111.154 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 57.8 p -74.54 143.55 79.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.541 0.686 . . . . 0.0 111.145 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 173.98 10.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.642 2.228 . . . . 0.0 112.334 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.441 ' HB3' ' CB ' ' A' ' 121' ' ' SER . 8.2 t-20 -156.21 179.21 9.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 120' ' ' ASP . 76.7 mt -69.85 114.17 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 119' ' ' ILE . 92.8 m-20 33.73 50.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.441 ' CB ' ' HB3' ' A' ' 118' ' ' ASN . 7.3 t -107.44 90.52 3.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 73.81 159.48 6.01 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.461 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 138.55 37.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.308 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.7 t -112.14 41.25 2.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 25.7 m -148.21 129.95 15.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.449 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.0 p -120.87 -61.36 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -98.54 166.13 11.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.72 81.34 0.75 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.7 m -144.52 161.62 38.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 m -94.53 94.82 8.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.59 96.3 0.12 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.7 mp -101.39 114.55 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 0.0 111.125 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 99' ' ' LYS . 11.3 mt -90.54 -37.91 13.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.524 ' CD2' ' O ' ' A' ' 12' ' ' GLU . 1.9 t80 -51.76 106.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.2 mm -57.06 -74.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.524 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -98.79 160.15 14.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -127.9 142.2 43.58 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.561 0.696 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 110.81 2.64 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -90.4 110.93 22.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.93 169.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -158.71 -157.92 8.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.3 m -135.58 112.76 10.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 111.144 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.9 p -108.7 140.43 27.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.6 153.93 39.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.44 117.73 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.135 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.8 -14.2 63.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.524 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -76.58 -175.41 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -132.5 119.92 21.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.5 tt -117.76 154.0 19.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 m -137.66 137.36 38.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.45 ' CD1' ' HE1' ' A' ' 77' ' ' MET . 43.7 m-85 -106.95 152.08 24.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.442 HG21 ' N ' ' A' ' 29' ' ' ALA . 39.0 mm -115.95 140.46 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.112 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.442 ' N ' HG21 ' A' ' 28' ' ' ILE . . . -156.77 113.46 3.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -104.82 164.47 11.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.462 ' CG1' ' HB2' ' A' ' 73' ' ' TYR . 14.7 p -151.27 135.98 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.154 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -77.05 125.88 30.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -123.16 164.51 18.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.428 ' O ' ' NH1' ' A' ' 71' ' ' ARG . 47.4 mt-10 -129.56 -43.24 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -93.42 150.65 20.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.0 mt -97.77 -40.19 8.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -53.38 -44.26 68.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -92.0 148.61 22.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -140.17 126.01 11.72 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.618 0.723 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 130.91 20.24 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.694 2.263 . . . . 0.0 112.346 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.1 m -96.16 141.64 29.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.8 tt -111.66 134.82 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.579 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 2.4 tppp? -125.68 116.32 21.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.8 m95 -89.93 120.11 30.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.579 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 61.6 m-85 -111.31 151.53 28.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.533 ' HD3' ' CE1' ' A' ' 90' ' ' TYR . 22.5 tptm -129.3 157.55 41.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.423 ' N ' ' HG3' ' A' ' 46' ' ' LYS . . . 58.88 -127.26 44.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.537 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -99.07 -57.52 2.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -131.31 34.35 4.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.445 ' CE ' HD21 ' A' ' 52' ' ' LEU . 1.2 tmm? -87.86 132.39 34.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -107.07 107.06 17.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 46' ' ' LYS . 28.6 mt -69.16 -27.7 65.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -47.67 -56.46 7.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.9 p -69.33 -24.32 63.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -74.23 -32.65 63.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.41 113.82 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.486 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . -153.06 -66.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.507 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -124.22 -60.28 1.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.33 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.4 ' O ' ' O ' ' A' ' 80' ' ' ILE . 96.7 m-70 -66.04 -20.47 66.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.43 ' CD1' HG12 ' A' ' 79' ' ' ILE . 3.7 tp -131.8 145.52 51.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 48.7 mm-40 -149.76 125.15 10.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.6 mt -91.37 164.49 13.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -139.5 145.88 39.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -152.37 128.39 10.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.463 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 14.0 t -138.46 167.26 22.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.613 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 43.0 t80 -135.0 147.64 49.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -128.07 97.32 4.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -22.86 66.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -53.59 -44.68 69.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.7 m -119.54 2.4 11.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.428 ' NH1' ' O ' ' A' ' 34' ' ' GLU . 13.6 mtm180 61.72 34.18 17.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 69.5 t -119.48 132.26 69.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.613 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 67.6 m-85 -91.69 155.54 18.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.463 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 14.7 m -137.06 114.5 10.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -109.9 148.12 32.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -141.66 166.0 25.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.45 ' HE1' ' CD1' ' A' ' 27' ' ' PHE . 49.6 ttp -135.02 101.4 4.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -87.39 110.27 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.43 HG12 ' CD1' ' A' ' 60' ' ' LEU . 2.4 mt -103.19 112.21 35.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.4 ' O ' ' O ' ' A' ' 59' ' ' HIS . 1.9 mp -96.88 146.46 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.9 mttm 48.07 48.79 18.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.51 110.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.071 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -88.81 167.56 13.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.7 -20.21 20.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.901 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -76.02 -19.84 58.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -75.88 -14.16 60.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.439 ' CB ' ' CG2' ' A' ' 109' ' ' VAL . . . -82.9 114.23 21.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -179.12 -142.84 5.1 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -109.97 117.75 34.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.357 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 20.3 m-85 -98.16 156.91 16.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -142.95 121.21 12.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.9 t -101.87 133.52 46.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -134.45 118.08 16.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 99.6 t -126.57 104.21 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.436 ' CG2' ' HB2' ' A' ' 100' ' ' PHE . 18.1 m -99.05 121.6 41.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.169 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 97' ' ' LYS . 10.6 t80 -115.63 138.9 50.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 96' ' ' TYR . 8.1 mmmt -34.22 -47.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.94 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -66.55 -71.5 0.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.47 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 24.3 mmtp -133.49 161.93 33.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.436 ' HB2' ' CG2' ' A' ' 95' ' ' THR . 1.0 OUTLIER -120.81 126.79 50.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -120.83 157.17 30.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 80.0 p -146.27 152.2 38.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 20.6 p -162.99 134.72 5.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 94.6 p -112.24 157.87 20.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 90' ' ' TYR . 10.6 p90 -143.15 -176.6 4.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -126.17 137.18 53.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.4 ' C ' HD11 ' A' ' 107' ' ' LEU . 2.6 tm? -122.25 130.25 53.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -110.54 149.78 29.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.439 ' CG2' ' CB ' ' A' ' 87' ' ' ALA . 38.9 t -131.13 117.56 37.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.101 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -102.98 143.29 32.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -62.59 129.11 39.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.9 t -78.79 -60.22 2.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 51.5 p -50.43 157.53 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.141 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 102.08 -169.88 20.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 41.8 p -93.39 142.65 27.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.826 0.346 . . . . 0.0 111.14 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 60.2 p -112.71 141.06 24.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.592 0.71 . . . . 0.0 111.123 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 170.32 16.8 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.332 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -152.24 160.29 43.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 50.9 mt -121.89 141.39 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -79.76 132.23 36.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 37.4 m -154.07 153.98 32.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -126.65 134.22 8.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.499 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 168.97 20.14 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.26 . . . . 0.0 112.306 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.6 p -138.46 130.88 28.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.5 m -64.3 144.2 57.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 m -146.01 164.93 30.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 0.0 110.843 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -112.62 98.74 7.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.95 115.8 0.46 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 p 41.35 33.68 0.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.911 0.386 . . . . 0.0 110.851 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.1 t -95.51 107.56 19.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.78 138.31 2.49 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.512 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.4 pp -122.2 -14.69 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.837 0.351 . . . . 0.0 111.116 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 10' ' ' PHE . 24.4 mt -64.88 -175.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 9' ' ' LEU . 1.2 t80 36.01 53.87 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.9 tt -47.9 -39.94 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.155 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -106.63 135.58 47.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -122.4 127.27 25.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.577 0.703 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 104.27 1.29 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.704 2.269 . . . . 0.0 112.377 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -80.68 43.94 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 42.96 -166.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.91 -160.58 22.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 m -139.12 111.87 7.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.804 0.335 . . . . 0.0 111.126 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.8 p -114.05 140.86 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HB3' ' CD ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -74.11 153.34 39.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.34 117.49 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.52 -3.44 63.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.41 ' CD ' ' HB3' ' A' ' 20' ' ' LYS . 52.8 mt-10 -89.1 -179.32 5.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.832 0.349 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -124.76 124.63 42.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.7 tt -123.18 151.73 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 m -139.22 130.21 26.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.412 ' CD1' ' HE2' ' A' ' 77' ' ' MET . 31.9 m-85 -98.76 154.18 18.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.471 HG22 ' N ' ' A' ' 29' ' ' ALA . 41.6 mm -114.94 137.39 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.471 ' N ' HG22 ' A' ' 28' ' ' ILE . . . -149.0 131.93 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.469 ' HE2' ' CG2' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -116.52 160.11 21.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.8 t -143.41 126.8 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -75.78 113.97 13.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -118.77 158.73 25.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -117.96 -39.76 3.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -98.02 123.7 42.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.1 mt -62.04 -42.79 99.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.89 -55.28 36.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -63.65 133.73 54.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.432 ' NZ ' ' OE2' ' A' ' 64' ' ' GLU . 9.6 ttpp -131.58 116.34 16.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.548 0.689 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.44 ' HD3' ' CE1' ' A' ' 96' ' ' TYR . 53.7 Cg_endo -69.7 134.11 27.3 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.6 m -96.86 138.15 34.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.516 HG21 ' CG ' ' A' ' 75' ' ' PHE . 10.3 tt -112.91 133.83 57.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.067 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.567 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 2.6 tppp? -122.12 118.87 29.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -87.98 130.86 34.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.567 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 56.2 m-85 -126.32 164.32 21.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.458 ' HB2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -143.64 147.57 34.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.44 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 62.93 -130.76 42.57 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.497 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.52 ' HD3' ' CE2' ' A' ' 49' ' ' TRP . 26.2 tttt -104.33 -49.09 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.755 0.312 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.52 ' CE2' ' HD3' ' A' ' 48' ' ' LYS . 4.9 m95 -116.53 -35.28 4.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.976 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.3 ttp -42.32 120.63 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.493 ' OD1' ' CE1' ' A' ' 45' ' ' PHE . 25.1 t70 -111.35 122.0 46.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.562 HD13 ' CE2' ' A' ' 90' ' ' TYR . 22.6 mt -69.13 -39.61 78.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -41.65 -37.8 1.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.051 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.5 t -82.37 -27.68 31.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 52' ' ' LEU . 31.7 mmtm -69.23 -26.96 65.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.409 ' N ' HD22 ' A' ' 60' ' ' LEU . . . -59.96 110.46 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.89 -66.29 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -125.92 -50.81 1.58 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 80' ' ' ILE . 95.1 m-70 -80.04 -14.54 58.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.455 ' CD1' HG12 ' A' ' 79' ' ' ILE . 4.3 tp -136.57 144.18 44.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.406 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 34.9 mm-40 -148.33 124.37 10.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.942 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.7 mt -89.8 165.69 14.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -140.92 150.51 43.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.432 ' OE2' ' NZ ' ' A' ' 39' ' ' LYS . 7.7 tt0 -152.42 131.64 12.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.465 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 14.5 t -141.9 161.68 37.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.708 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 53.7 t80 -123.25 146.34 47.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -130.12 94.9 3.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -30.51 71.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -42.8 -47.28 5.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 t -119.37 2.99 11.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.0 mtt85 62.71 33.45 15.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 53.7 t -116.59 134.02 61.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.708 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 58.2 m-85 -94.2 134.75 36.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.465 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 5.0 m -114.62 123.24 48.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.516 ' CG ' HG21 ' A' ' 42' ' ' ILE . 8.2 m-85 -120.82 125.08 46.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -113.12 167.42 10.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.412 ' HE2' ' CD1' ' A' ' 27' ' ' PHE . 42.1 ttp -136.2 103.11 5.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.03 127.67 34.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.455 HG12 ' CD1' ' A' ' 60' ' ' LEU . 2.1 mt -119.28 105.58 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' ' 59' ' ' HIS . 1.1 mp -91.05 139.7 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.5 mttp 53.44 46.44 26.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.64 117.11 2.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -90.83 161.28 15.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.66 -11.63 3.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -86.87 -17.41 33.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -74.24 -17.92 60.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.458 ' HB3' ' N ' ' A' ' 109' ' ' VAL . . . -81.94 108.66 15.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -170.56 -139.64 2.8 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -104.13 114.26 28.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 110.85 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.58 ' CB ' ' CE2' ' A' ' 105' ' ' PHE . 3.0 m-85 -102.92 136.71 42.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -128.65 125.88 39.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.446 ' C ' ' OE1' ' A' ' 93' ' ' GLU . 27.7 p -106.63 149.75 26.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.446 ' OE1' ' C ' ' A' ' 92' ' ' CYS . 33.7 mp0 -144.73 123.62 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.3 t -123.16 104.03 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.42 127.15 38.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.53 ' CD2' ' OD1' ' A' ' 98' ' ' ASP . 3.7 t80 -117.97 -178.13 3.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' ' 97' ' ' LYS . 4.2 mmmt -71.74 -58.27 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.53 ' OD1' ' CD2' ' A' ' 96' ' ' TYR . 0.2 OUTLIER -62.39 -72.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.862 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.462 ' CD ' ' HB2' ' A' ' 98' ' ' ASP . 0.3 OUTLIER -132.13 169.13 16.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 102' ' ' SER . 0.1 OUTLIER -119.63 150.71 39.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -142.5 151.15 41.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.446 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 84.1 p -147.46 171.65 15.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 2.4 t -154.96 171.13 20.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 94.8 p -138.91 147.67 42.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.58 ' CE2' ' CB ' ' A' ' 90' ' ' TYR . 1.3 p90 -153.85 -176.97 6.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -135.41 140.4 44.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.471 HD22 ' N ' ' A' ' 108' ' ' GLU . 1.2 tt -112.36 142.12 45.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.471 ' N ' HD22 ' A' ' 107' ' ' LEU . 26.1 mt-10 -119.77 145.87 46.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.458 ' N ' ' HB3' ' A' ' 87' ' ' ALA . 60.3 t -131.96 121.65 47.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -103.09 144.66 31.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -65.05 129.22 38.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 38.1 t -75.35 56.98 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 25.1 p -108.57 151.25 26.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.169 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -154.12 33.22 0.72 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 8.8 t -92.64 115.84 28.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.887 0.375 . . . . 0.0 111.178 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 20.5 p -150.89 143.79 16.62 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.592 0.71 . . . . 0.0 111.133 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 169.5 18.82 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.724 2.283 . . . . 0.0 112.327 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -104.05 149.85 24.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.408 HG23 ' N ' ' A' ' 120' ' ' ASP . 64.0 mt -144.37 135.51 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.408 ' N ' HG23 ' A' ' 119' ' ' ILE . 6.7 p-10 -117.98 170.69 8.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 34.7 m -76.88 -20.18 56.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 68.23 69.27 1.41 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 102.71 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.368 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 44.5 m -72.49 -57.23 4.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 79.2 p -59.31 120.8 9.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.7 p -167.37 114.52 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 110.856 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -109.12 120.91 43.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.27 139.95 15.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 m -106.67 -50.17 3.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 t -99.48 150.32 22.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.836 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.3 -161.69 1.07 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.47 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.4 pt -130.83 138.12 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.144 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.407 HD13 ' CG2' ' A' ' 31' ' ' VAL . 1.5 tm? -96.7 -53.03 3.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.567 ' CD2' ' O ' ' A' ' 12' ' ' GLU . 1.0 OUTLIER -85.86 88.2 7.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.483 HD12 ' CD ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -55.75 -52.36 49.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.567 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 9.0 tm-20 -93.91 147.28 23.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -133.73 120.76 15.67 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.628 0.727 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 112.4 3.08 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.686 2.257 . . . . 0.0 112.316 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 16' ' ' GLY . 50.2 mm-40 -86.25 35.02 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 15' ' ' GLN . . . 34.93 -153.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.459 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 171.27 -155.44 24.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.5 m -137.96 114.49 10.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.82 0.343 . . . . 0.0 111.149 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.5 p -111.41 142.37 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.51 154.49 38.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.7 t -61.74 117.22 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.58 -11.03 63.03 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.49 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -79.2 -176.49 5.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -131.44 122.1 25.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.5 tt -124.88 152.62 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.2 m -135.6 132.79 37.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.529 ' CE1' ' HE3' ' A' ' 77' ' ' MET . 25.8 m-85 -99.91 152.47 20.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.5 mm -110.01 135.57 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -154.45 112.66 3.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -113.1 159.99 18.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.409 HG12 ' CG ' ' A' ' 40' ' ' PRO . 4.9 p -139.75 144.83 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.483 ' CD ' HD12 ' A' ' 11' ' ' ILE . 2.5 tptt -75.83 124.77 27.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 71' ' ' ARG . . . -129.44 136.92 50.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.09 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -105.1 -42.56 5.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.22 160.99 14.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.7 mt -101.37 -40.07 7.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -54.09 -40.77 67.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -86.75 144.73 26.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.509 ' HG2' ' CE2' ' A' ' 73' ' ' TYR . 14.9 mtmm -137.06 120.56 11.9 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.584 0.707 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.409 ' CG ' HG12 ' A' ' 31' ' ' VAL . 54.0 Cg_endo -69.75 120.83 7.55 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.673 2.248 . . . . 0.0 112.382 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.6 m -82.67 139.1 33.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.418 HG22 ' CG ' ' A' ' 75' ' ' PHE . 10.4 tt -121.97 123.09 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.448 ' HG2' ' CE1' ' A' ' 45' ' ' PHE . 4.3 tppt? -119.4 116.71 26.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -85.54 136.61 33.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.485 ' CE2' ' OD1' ' A' ' 51' ' ' ASP . 57.1 m-85 -130.86 162.66 29.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.46 ' HB2' ' CD2' ' A' ' 52' ' ' LEU . 9.6 tmtt? -144.87 147.91 33.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.439 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 65.19 -136.71 37.5 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.523 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 49' ' ' TRP . 8.1 tmtm? -100.97 -52.94 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.461 ' CD1' ' HB3' ' A' ' 48' ' ' LYS . 14.9 m95 -110.84 -35.13 6.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.953 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.9 ttp -43.08 118.92 1.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.485 ' OD1' ' CE2' ' A' ' 45' ' ' PHE . 21.1 t0 -110.28 111.62 23.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.499 HD12 ' CE2' ' A' ' 90' ' ' TYR . 40.3 mt -57.19 -43.7 82.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.44 ' CB ' ' HD2' ' A' ' 43' ' ' LYS . . . -41.88 -38.29 1.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.6 t -81.15 -32.35 33.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' LEU . 35.1 mmtt -65.61 -30.55 71.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.455 ' N ' HD22 ' A' ' 60' ' ' LEU . . . -55.82 113.68 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.088 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.51 -60.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -128.99 -56.63 1.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.835 0.35 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 80' ' ' ILE . 97.8 m-70 -74.25 -20.56 60.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.461 ' CD1' HG12 ' A' ' 79' ' ' ILE . 4.4 tp -129.01 145.2 51.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.416 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 12.8 mm-40 -148.2 124.21 10.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.9 mt -91.46 153.73 19.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -127.6 148.67 50.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -152.04 133.85 14.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.461 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 11.7 t -147.31 165.97 28.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.172 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.6 ' CD1' ' CE1' ' A' ' 73' ' ' TYR . 41.1 t80 -128.72 147.06 50.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -129.91 90.95 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -23.72 52.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -46.03 -45.27 15.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 82.7 p -126.57 4.86 6.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 33' ' ' ALA . 32.3 mtt-85 63.51 38.98 9.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 63.7 t -123.78 130.82 73.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.6 ' CE1' ' CD1' ' A' ' 66' ' ' PHE . 6.3 m-85 -89.59 152.1 21.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.461 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 50.1 m -127.98 105.81 8.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.418 ' CG ' HG22 ' A' ' 42' ' ' ILE . 25.5 m-85 -104.08 129.67 51.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -123.51 167.28 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.529 ' HE3' ' CE1' ' A' ' 27' ' ' PHE . 50.9 ttp -135.03 97.88 3.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -84.32 113.04 20.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.461 HG12 ' CD1' ' A' ' 60' ' ' LEU . 2.4 mt -103.75 114.56 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.405 ' O ' ' O ' ' A' ' 59' ' ' HIS . 2.2 mp -99.53 140.29 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.6 mttt 54.43 47.73 22.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.3 108.98 0.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -89.27 169.01 11.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.85 -19.73 19.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -75.27 -17.86 60.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -80.79 -10.02 59.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.435 ' CB ' ' CG2' ' A' ' 109' ' ' VAL . . . -86.19 121.59 28.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 166.1 -140.44 6.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -105.76 133.47 50.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.857 0.36 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.583 ' CB ' ' CE2' ' A' ' 105' ' ' PHE . 8.9 m-85 -112.77 147.28 37.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 47.4 ttm-85 -139.86 123.88 17.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.01 146.48 28.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -131.89 122.17 25.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.457 ' O ' ' CD2' ' A' ' 100' ' ' PHE . 58.5 t -130.49 122.4 52.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 m -114.54 143.78 44.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.503 ' O ' ' C ' ' A' ' 97' ' ' LYS . 7.8 t80 -138.99 178.45 7.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.503 ' C ' ' O ' ' A' ' 96' ' ' TYR . 46.9 mttt -28.87 -74.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -132.88 26.26 4.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -136.81 142.4 42.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.457 ' CD2' ' O ' ' A' ' 94' ' ' VAL . 7.3 t80 -145.3 150.52 36.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -156.21 143.57 19.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 91.3 p -136.44 124.62 23.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.834 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 46.1 t -107.93 136.54 47.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 62.2 p -111.12 129.24 55.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.583 ' CE2' ' CB ' ' A' ' 90' ' ' TYR . 1.5 p90 -131.41 167.29 19.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -119.2 122.94 43.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -103.83 129.91 51.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -107.92 147.22 31.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.435 ' CG2' ' CB ' ' A' ' 87' ' ' ALA . 38.7 t -128.44 117.4 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -102.96 144.29 31.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -66.61 125.08 24.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.4 t -69.96 -54.71 12.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.829 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 36.4 p -67.31 160.51 27.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.167 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -56.77 151.33 25.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.529 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 46.0 p -138.92 168.46 19.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.893 0.378 . . . . 0.0 111.111 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 70.0 p -124.47 151.19 66.54 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.573 0.701 . . . . 0.0 111.151 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 137.48 35.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.235 . . . . 0.0 112.303 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -90.93 174.13 7.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 40.0 mt -89.35 114.91 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -98.96 141.13 32.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.9 m -72.93 177.06 5.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -127.65 165.47 20.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 175.74 7.7 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.691 2.261 . . . . 0.0 112.34 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 54.1 p -174.96 152.09 1.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 47.7 t -161.28 138.44 8.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.916 HD11 ' HD2' ' A' ' 32' ' ' LYS . 74.4 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.739 0.304 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.38 159.19 15.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -131.31 145.09 56.15 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.536 0.684 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 94.72 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.388 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -70.77 104.71 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.7 164.26 0.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.438 ' O ' HD22 ' A' ' 107' ' ' LEU . . . -155.78 -152.68 6.29 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.477 HG23 ' CB ' ' A' ' 108' ' ' GLU . 19.3 m -138.59 114.97 10.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.362 . . . . 0.0 111.177 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.5 p -111.69 142.14 25.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -74.23 156.58 37.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 110' ' ' HIS . 54.1 t -63.69 117.28 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.56 -10.18 62.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.527 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -80.75 -179.09 7.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -129.13 120.51 25.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.3 tt -121.36 151.69 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.4 m -132.8 144.34 50.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -112.49 157.49 21.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.5 mm -117.45 138.69 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -156.13 113.82 3.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -113.64 158.04 21.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.6 ' O ' HG13 ' A' ' 72' ' ' VAL . 12.8 p -138.63 141.54 36.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.916 ' HD2' HD11 ' A' ' 11' ' ' ILE . 3.4 tptm -76.02 117.24 17.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -115.65 150.12 37.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -118.53 -41.93 2.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -92.77 160.78 14.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.458 HD22 ' HZ ' ' A' ' 66' ' ' PHE . 24.2 mt -109.82 -38.56 5.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.432 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.8 mm? -55.83 -36.15 67.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? -98.36 150.57 21.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -138.65 126.27 13.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.552 0.691 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 147.68 63.28 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.652 2.235 . . . . 0.0 112.36 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.3 m -112.24 137.36 50.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.3 tt -113.01 138.04 43.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -127.68 117.62 22.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.429 ' CE3' ' SD ' ' A' ' 77' ' ' MET . 54.8 m95 -89.6 136.56 32.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.489 ' CE1' ' CG ' ' A' ' 51' ' ' ASP . 65.8 m-85 -129.78 172.04 12.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.56 ' HD3' ' CE1' ' A' ' 90' ' ' TYR . 26.1 tptp -156.82 146.41 20.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.26 -132.93 30.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.576 ' HB3' ' CD1' ' A' ' 49' ' ' TRP . 1.1 tmtp? -104.3 -50.09 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.75 0.309 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.576 ' CD1' ' HB3' ' A' ' 48' ' ' LYS . 4.2 m95 -114.26 -35.65 4.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.561 ' CE ' HD23 ' A' ' 52' ' ' LEU . 3.3 ttp -42.49 116.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.507 ' OD2' ' HB3' ' A' ' 53' ' ' ALA . 26.3 t0 -109.48 101.73 10.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.561 HD23 ' CE ' ' A' ' 50' ' ' MET . 64.0 mt -47.89 -34.42 8.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.507 ' HB3' ' OD2' ' A' ' 51' ' ' ASP . . . -44.47 -52.55 7.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.061 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.64 -19.68 55.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -76.79 -23.43 52.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.603 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -63.29 111.44 2.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.71 -52.23 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -129.33 -75.53 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -61.42 -17.04 52.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.603 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.6 tp -134.17 144.94 48.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -149.69 123.6 9.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.1 mt -91.03 163.76 14.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -140.32 151.18 44.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -151.76 134.39 15.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.7 t -145.71 146.68 31.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.537 ' CD1' ' CE2' ' A' ' 73' ' ' TYR . 32.3 t80 -114.2 146.82 39.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -129.32 90.86 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -22.58 62.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -53.92 -39.58 65.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 72' ' ' VAL . 5.5 t -124.42 4.35 8.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.658 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 20.5 mtt180 57.97 39.92 26.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.844 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 31' ' ' VAL . 91.4 t -128.98 133.18 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.537 ' CE2' ' CD1' ' A' ' 66' ' ' PHE . 90.6 m-85 -92.84 153.91 18.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 85.9 m -135.66 106.3 6.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -102.12 134.52 45.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -121.73 165.53 15.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.429 ' SD ' ' CE3' ' A' ' 44' ' ' TRP . 46.3 ttp -135.01 100.32 4.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -87.51 112.73 22.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.542 HG12 HD12 ' A' ' 60' ' ' LEU . 2.8 mt -103.93 110.13 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.593 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.4 mp -95.27 146.66 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.0 mttm 47.27 51.28 13.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.23 110.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -88.48 165.4 14.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.38 -12.65 2.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -83.48 -20.74 33.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.408 ' CE2' HG23 ' A' ' 79' ' ' ILE . 6.5 m-85 -72.84 -14.63 61.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.977 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -76.31 147.0 38.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 143.15 -139.39 8.9 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -114.81 126.31 54.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.56 ' CE1' ' HD3' ' A' ' 46' ' ' LYS . 8.7 m-85 -98.93 169.99 9.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -152.11 152.87 32.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 56.5 m -136.04 132.63 36.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -128.79 118.12 22.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.2 t -126.67 107.28 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -100.71 101.88 12.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.8 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.903 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -140.83 147.67 39.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 60.7 p -139.86 142.45 36.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.5 p -144.15 147.43 33.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 46.5 p -129.77 146.52 51.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.519 ' CZ ' ' CB ' ' A' ' 90' ' ' TYR . 47.2 p90 -132.86 -175.22 3.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -124.25 138.38 54.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.636 HD13 ' N ' ' A' ' 108' ' ' GLU . 3.4 tm? -125.03 136.02 53.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.636 ' N ' HD13 ' A' ' 107' ' ' LEU . 18.5 mt-10 -118.86 145.96 45.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.977 HG23 ' HB2' ' A' ' 87' ' ' ALA . 19.1 t -123.28 120.61 60.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.423 ' O ' HG23 ' A' ' 21' ' ' VAL . 18.0 m170 -103.93 144.4 31.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -68.71 121.0 15.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.833 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.434 HD13 ' HA ' ' A' ' 11' ' ' ILE . 20.7 mm . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.816 0.341 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.408 ' CB ' ' HE3' ' A' ' 30' ' ' LYS . 1.3 tp10 -94.63 160.04 14.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -128.11 149.64 71.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.523 0.678 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 85.06 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -56.33 107.44 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.31 161.68 5.35 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.486 ' O ' HD22 ' A' ' 107' ' ' LEU . . . -157.99 -159.31 9.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.466 HG21 ' NE2' ' A' ' 110' ' ' HIS . 52.4 m -134.37 115.92 14.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 0.0 111.121 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.4 p -111.02 143.2 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.83 155.82 38.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.1 t -63.64 122.39 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.67 -15.66 62.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.501 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -76.09 -175.48 3.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.892 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -131.86 121.3 23.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.5 tt -120.62 154.82 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.139 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.1 m -138.7 140.79 38.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -111.43 152.91 26.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.43 HD13 ' HG2' ' A' ' 76' ' ' GLU . 42.2 mm -114.5 134.2 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -145.05 114.24 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.408 ' HE3' ' CB ' ' A' ' 12' ' ' GLU . 13.3 mtmt -107.5 152.29 24.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.483 ' O ' HG13 ' A' ' 72' ' ' VAL . 7.1 p -139.88 132.88 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -76.14 119.37 19.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -118.69 147.59 43.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -127.15 43.51 3.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.547 ' C ' HD23 ' A' ' 36' ' ' LEU . 21.5 t0 -169.86 160.35 8.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.547 HD23 ' C ' ' A' ' 35' ' ' ASP . 7.0 mt -116.27 -28.94 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.502 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 2.1 mp -70.73 -27.63 64.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -110.83 138.04 47.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.832 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 32.3 ttmt -126.36 127.24 24.64 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.546 0.689 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 163.6 37.67 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.653 2.236 . . . . 0.0 112.351 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.3 m -132.38 138.53 47.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.6 tt -116.52 130.67 70.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.588 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 3.0 tppp? -116.53 119.26 35.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.451 ' CE3' ' CE ' ' A' ' 77' ' ' MET . 27.4 m95 -89.59 128.81 36.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.588 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 56.0 m-85 -123.43 156.52 35.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.695 ' HB2' HD21 ' A' ' 52' ' ' LEU . 22.9 tptp -134.37 143.93 47.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.02 -129.64 35.26 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.524 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.448 ' HG2' ' CE2' ' A' ' 49' ' ' TRP . 6.0 ttmt -103.78 -54.33 2.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.448 ' CE2' ' HG2' ' A' ' 48' ' ' LYS . 4.8 m95 -113.08 -33.1 6.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.4 ttp -43.03 119.8 1.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.616 ' OD2' ' HB3' ' A' ' 53' ' ' ALA . 17.3 t70 -110.32 129.44 55.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.695 HD21 ' HB2' ' A' ' 46' ' ' LYS . 18.7 mt -77.95 -32.76 51.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.616 ' HB3' ' OD2' ' A' ' 51' ' ' ASP . . . -44.41 -33.54 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.3 t -91.78 -20.72 21.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' LEU . 72.3 mmtt -77.71 -26.13 49.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.586 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -55.79 109.57 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.97 -71.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -121.16 -52.55 2.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.465 ' CE1' ' HE2' ' A' ' 83' ' ' LYS . 5.9 m-70 -77.66 -13.04 60.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.586 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.1 tp -141.63 143.92 33.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.932 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.418 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 11.2 mm-40 -148.9 123.62 9.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.8 mt -89.98 162.73 15.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -143.44 146.87 33.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -151.23 136.81 17.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.2 t -146.12 155.66 42.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.53 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 35.4 t80 -121.99 143.4 49.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -124.76 94.05 4.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.458 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -62.17 -27.32 68.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -49.9 -40.95 44.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.8 m -123.38 2.64 9.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 59.32 53.13 5.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 31' ' ' VAL . 89.4 t -141.05 140.02 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.53 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 18.1 m-85 -100.96 145.6 28.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 94.3 m -125.42 108.43 11.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -102.76 141.2 35.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.43 ' HG2' HD13 ' A' ' 28' ' ' ILE . 6.7 mt-10 -131.66 163.91 27.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.451 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 44.0 ttp -134.71 98.32 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -85.38 110.97 19.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.573 HG12 HD12 ' A' ' 60' ' ' LEU . 2.6 mt -103.11 103.5 15.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.694 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.1 mp -88.6 142.89 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.2 mttt 49.39 47.55 22.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.9 115.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.474 ' HG3' ' CE1' ' A' ' 86' ' ' PHE . 44.6 mttt -87.65 162.82 16.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.07 -15.51 9.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -83.1 -18.63 38.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.474 ' CE1' ' HG3' ' A' ' 83' ' ' LYS . 5.2 m-85 -71.29 -14.06 62.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.971 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -78.14 152.72 32.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 138.71 -137.71 8.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -114.82 130.97 56.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.567 ' CE1' ' HD3' ' A' ' 46' ' ' LYS . 8.6 m-85 -104.96 156.87 17.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.9 ttp85 -148.16 123.65 10.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 14.7 p -116.48 139.72 50.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.525 ' OE1' ' CE2' ' A' ' 45' ' ' PHE . 12.4 mt-10 -125.54 118.36 25.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 90.2 t -120.9 108.08 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.761 HG23 ' HB2' ' A' ' 100' ' ' PHE . 3.5 m -107.08 118.97 38.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 11.9 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.761 ' HB2' HG23 ' A' ' 95' ' ' THR . 2.8 t80 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.853 0.358 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -128.72 146.5 50.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.5 m -142.75 163.84 31.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 31.6 p -163.48 157.94 20.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 59.6 p -123.34 146.21 48.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.619 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 0.1 OUTLIER -130.2 -176.01 3.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -131.68 130.99 42.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.486 HD22 ' O ' ' A' ' 17' ' ' GLY . 2.7 tm? -125.82 121.91 34.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -105.36 159.2 16.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.971 HG23 ' HB2' ' A' ' 87' ' ' ALA . 23.5 t -133.36 124.83 49.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.466 ' NE2' HG21 ' A' ' 18' ' ' THR . 18.6 m170 -103.99 143.08 33.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.807 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -66.12 122.6 17.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.0 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.84 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.6 HG23 ' N ' ' A' ' 12' ' ' GLU . 3.2 tp . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.785 0.326 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.6 ' N ' HG23 ' A' ' 11' ' ' ILE . 8.7 tp10 -114.73 154.34 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt -122.22 142.15 36.15 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.583 0.706 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.408 ' HG2' ' CD1' ' A' ' 105' ' ' PHE . 54.0 Cg_endo -69.74 101.34 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.248 . . . . 0.0 112.368 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -71.45 116.42 11.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.81 162.7 8.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.7 -150.83 5.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.525 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.503 HG23 ' HB3' ' A' ' 108' ' ' GLU . 3.8 m -142.54 115.1 8.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 111.149 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.9 p -114.78 141.54 30.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' CB ' ' OE1' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -74.31 155.1 38.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 110' ' ' HIS . 53.6 t -64.2 121.36 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.087 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.62 -4.44 69.22 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.405 ' OE1' ' CB ' ' A' ' 20' ' ' LYS . 30.1 mt-10 -88.37 -176.61 5.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -126.17 128.64 47.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.8 tt -131.08 153.21 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.5 m -138.64 139.58 38.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.558 ' HZ ' HD13 ' A' ' 107' ' ' LEU . 78.8 m-85 -108.51 155.48 20.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.529 HD13 ' HG2' ' A' ' 76' ' ' GLU . 35.3 mm -111.15 141.02 27.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.45 116.79 5.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -108.7 148.48 30.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.8 t -138.09 130.37 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -75.92 128.96 36.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.73 164.36 26.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.063 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -123.62 -42.81 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.35 135.91 33.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.87 -42.79 23.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.9 mt -56.62 -59.46 4.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -63.69 132.6 51.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.408 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 25.5 ttpt -129.89 119.61 19.06 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.522 0.677 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 163.49 38.08 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.383 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.2 m -125.39 133.53 52.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 12.4 tt -107.83 128.92 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.144 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.463 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 3.2 tppt? -118.21 121.16 39.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.426 ' CE2' ' HB2' ' A' ' 77' ' ' MET . 17.6 m95 -93.34 129.1 39.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.463 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 51.3 m-85 -121.71 154.35 36.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.764 ' HB2' HD21 ' A' ' 52' ' ' LEU . 25.4 tptp -125.8 147.39 49.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.22 -131.93 50.16 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -104.34 -48.02 3.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 5.3 m95 -116.03 -31.38 5.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.7 ttp -42.86 124.32 3.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -106.32 136.57 45.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.764 HD21 ' HB2' ' A' ' 46' ' ' LYS . 80.1 mt -89.84 -40.45 12.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -42.9 -32.42 0.63 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.7 t -83.41 -31.77 26.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' LEU . 38.3 mmtt -71.22 -28.76 64.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.526 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -54.42 110.45 0.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -171.8 -73.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.45 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -117.39 -38.75 3.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.826 0.346 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.626 ' CD2' ' HB2' ' A' ' 81' ' ' LYS . 15.1 m80 -92.09 -15.8 27.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.587 HD12 HG12 ' A' ' 79' ' ' ILE . 5.0 tp -139.85 145.22 37.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -148.77 122.87 9.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.1 mt -95.19 153.51 17.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -130.92 150.18 52.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -150.12 134.11 16.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 74' ' ' THR . 12.1 t -143.15 154.12 43.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.681 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 57.6 t80 -119.67 147.6 44.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -129.62 96.5 4.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -22.3 66.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -43.64 -64.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t -111.74 6.46 19.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.4 mtt85 66.31 45.71 2.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.2 t -125.74 139.82 50.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.681 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 64.2 m-85 -99.85 150.55 22.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.567 ' O ' HG22 ' A' ' 65' ' ' THR . 87.6 m -132.72 101.69 5.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.138 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -102.58 139.63 37.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.529 ' HG2' HD13 ' A' ' 28' ' ' ILE . 42.6 mt-10 -125.38 166.61 16.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.512 ' SD ' ' CG1' ' A' ' 79' ' ' ILE . 12.0 tmm? -135.04 99.77 4.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -83.79 138.18 33.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.587 HG12 HD12 ' A' ' 60' ' ' LEU . 2.3 mt -126.78 101.32 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.663 ' H ' HD12 ' A' ' 80' ' ' ILE . 0.9 OUTLIER -88.56 141.41 14.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 179.842 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.626 ' HB2' ' CD2' ' A' ' 59' ' ' HIS . 14.9 mttp 50.7 45.77 26.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.55 126.77 10.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.076 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.614 ' HE2' ' CD2' ' A' ' 59' ' ' HIS . 23.0 mttm -99.68 162.29 13.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.92 -16.55 12.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -82.8 -18.99 38.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -72.61 -16.01 61.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.111 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -75.45 142.69 42.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 143.27 -141.77 10.77 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -107.48 134.67 50.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.582 ' CE2' HD11 ' A' ' 52' ' ' LEU . 26.4 m-85 -110.96 170.2 8.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -151.06 148.45 28.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.3 p -139.31 117.79 12.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.414 ' HG2' ' CB ' ' A' ' 102' ' ' SER . 36.2 mt-10 -113.07 120.21 40.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.4 t -120.29 106.21 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.163 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.6 p -95.76 131.7 41.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 9.4 t80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.866 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.871 0.367 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -139.16 156.79 46.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.414 ' CB ' ' HG2' ' A' ' 93' ' ' GLU . 70.7 p -146.28 148.03 32.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 7.5 t -129.02 168.68 15.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 94.0 p -140.84 139.58 34.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.479 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 1.2 p90 -130.52 -177.27 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.4 128.45 41.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.558 HD13 ' HZ ' ' A' ' 27' ' ' PHE . 29.9 tp -110.97 159.13 18.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.503 ' HB3' HG23 ' A' ' 18' ' ' THR . 21.5 mt-10 -134.49 148.09 50.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 1.111 HG23 ' HB2' ' A' ' 87' ' ' ALA . 16.6 t -127.43 122.86 60.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.163 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.439 ' NE2' HG21 ' A' ' 18' ' ' THR . 16.1 m170 -103.35 141.62 35.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -67.56 120.73 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.748 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.536 HG22 ' N ' ' A' ' 12' ' ' GLU . 15.1 mm . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.828 0.347 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.536 ' N ' HG22 ' A' ' 11' ' ' ILE . 8.4 tp10 -86.91 136.32 32.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -118.43 142.52 31.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.578 0.704 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 82.71 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.392 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -58.84 112.07 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.58 156.93 34.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.452 ' O ' HD22 ' A' ' 107' ' ' LEU . . . -149.16 -147.22 4.48 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.522 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.691 HG23 ' CB ' ' A' ' 108' ' ' GLU . 5.7 m -139.94 116.11 10.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 111.134 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.1 p -111.1 139.59 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.439 ' HB3' ' CD ' ' A' ' 23' ' ' GLU . 1.6 tppp? -73.5 152.82 40.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.3 t -60.43 119.19 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.74 -17.73 57.9 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.507 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 1.6 mp0 -75.9 -178.44 4.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.892 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 2.3 p-10 -128.57 132.1 48.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.829 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.2 tt -129.66 154.05 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.3 m -134.96 129.27 33.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -102.0 136.79 41.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.548 HD13 ' HG2' ' A' ' 76' ' ' GLU . 32.1 mm -99.02 125.83 52.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.5 111.61 4.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.076 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.459 ' HE3' ' CB ' ' A' ' 12' ' ' GLU . 2.0 ptpt -128.22 142.43 51.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.69 ' O ' HG13 ' A' ' 72' ' ' VAL . 4.2 p -111.76 149.8 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -75.63 133.61 40.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.57 163.75 27.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -132.23 -48.43 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -89.34 161.42 16.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.2 mt -104.44 -39.6 6.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.9 mm? -51.46 -44.65 62.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -85.67 155.95 20.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.41 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 27.3 ttmt -144.37 119.89 6.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.701 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.446 ' HD2' ' CE1' ' A' ' 73' ' ' TYR . 54.2 Cg_endo -69.7 127.7 15.01 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.679 2.252 . . . . 0.0 112.364 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 56.5 m -88.37 142.41 27.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.9 tt -126.34 149.0 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.102 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.604 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 2.4 tppp? -144.18 137.52 27.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -105.35 133.1 50.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.604 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 64.7 m-85 -130.11 162.39 28.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' A' ' 47' ' ' GLY . 14.2 tmtt? -151.22 144.68 24.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.425 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 70.19 -132.48 23.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HG2' ' CD1' ' A' ' 49' ' ' TRP . 24.2 ttpt -104.54 -52.64 2.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.779 0.323 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.562 ' CD1' ' HG2' ' A' ' 48' ' ' LYS . 65.0 m95 -114.23 -34.56 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.615 ' HE2' HD23 ' A' ' 52' ' ' LEU . 2.2 ttp -41.87 113.57 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -108.56 100.89 10.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.615 HD23 ' HE2' ' A' ' 50' ' ' MET . 36.7 mt -47.1 -42.93 19.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.486 ' CB ' ' HD2' ' A' ' 43' ' ' LYS . . . -41.4 -49.7 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 p -78.12 -29.54 48.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt -66.85 -31.34 71.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.683 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -54.17 118.64 4.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -163.14 -57.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.454 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -132.2 -63.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -65.71 -28.14 68.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.683 HD23 ' CA ' ' A' ' 56' ' ' ALA . 3.9 tp -120.48 146.54 46.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.415 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 32.7 mm-40 -148.98 126.37 11.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.7 mt -97.81 157.42 16.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -130.34 150.4 51.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -152.7 126.41 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 74' ' ' THR . 6.5 t -141.5 162.81 34.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.428 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 61.5 t80 -132.39 144.95 50.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 71' ' ' ARG . 33.2 mp0 -124.24 105.33 9.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.454 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -68.17 -37.34 80.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.431 ' CD2' ' HB3' ' A' ' 67' ' ' GLU . 1.4 p-80 -54.36 -36.21 63.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.0 p -112.22 -9.16 13.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 67' ' ' GLU . 14.2 mtt85 56.73 51.57 10.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.69 HG13 ' O ' ' A' ' 31' ' ' VAL . 91.7 t -143.1 135.25 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.591 ' HB3' ' CZ ' ' A' ' 75' ' ' PHE . 76.3 m-85 -90.26 124.12 34.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.499 ' O ' HG22 ' A' ' 65' ' ' THR . 62.3 m -106.93 106.85 17.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.138 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.591 ' CZ ' ' HB3' ' A' ' 73' ' ' TYR . 14.3 m-85 -104.39 142.71 34.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.548 ' HG2' HD13 ' A' ' 28' ' ' ILE . 6.6 mt-10 -135.77 167.07 21.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 31.3 ttp -136.7 102.71 4.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 61' ' ' GLN . 2.8 tt0 -89.04 111.46 22.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.524 HG12 HD12 ' A' ' 60' ' ' LEU . 3.1 mt -102.53 117.9 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.4 mp -103.53 130.47 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.1 mttt 64.05 45.66 4.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.89 112.67 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -89.84 166.07 13.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.34 -24.03 41.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.43 -16.57 61.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.408 ' O ' HD12 ' A' ' 107' ' ' LEU . 3.1 m-85 -79.87 -10.26 59.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.055 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -88.42 118.99 28.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 170.19 -123.99 1.1 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.445 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -116.66 138.54 51.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 9.2 m-85 -122.29 144.74 48.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -130.93 158.02 41.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 7.1 t -139.58 128.9 24.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -118.11 130.71 56.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 94' ' ' VAL . 13.3 p -140.99 115.0 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.9 m -110.13 141.17 43.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.159 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 5.3 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 22.4 t80 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.866 0.365 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -135.72 154.61 51.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 52.1 p -136.4 123.16 21.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 16.2 t -124.34 126.34 45.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 100.0 p -112.33 149.51 32.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 90' ' ' TYR . 1.9 p90 -135.22 176.77 8.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -118.37 131.87 56.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.452 HD22 ' O ' ' A' ' 17' ' ' GLY . 1.9 tm? -117.78 131.72 56.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.691 ' CB ' HG23 ' A' ' 18' ' ' THR . 2.0 mp0 -111.64 153.31 26.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 1.055 HG23 ' HB2' ' A' ' 87' ' ' ALA . 21.8 t -136.48 117.39 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -103.0 143.89 31.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.97 128.08 34.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.802 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.45 HG23 ' N ' ' A' ' 12' ' ' GLU . 4.6 tp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.774 0.321 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.45 ' N ' HG23 ' A' ' 11' ' ' ILE . 9.7 tm-20 -123.78 142.27 51.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -130.2 145.12 55.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.608 0.718 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 120.95 7.66 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -90.38 17.47 7.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 48.89 -178.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.525 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -174.37 -148.22 6.47 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.429 HG21 ' NE2' ' A' ' 110' ' ' HIS . 16.9 m -142.32 125.38 16.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.805 0.336 . . . . 0.0 111.172 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.7 p -123.49 143.03 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -73.86 153.17 39.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.99 117.61 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.143 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.85 -9.82 62.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -82.14 -178.43 7.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -128.49 126.11 39.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.7 tt -127.01 152.78 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 m -132.55 135.6 46.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -105.5 154.59 20.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.401 HD13 ' HG2' ' A' ' 76' ' ' GLU . 38.9 mm -113.04 136.44 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -157.4 112.82 2.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.117 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -114.7 169.28 9.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.644 ' O ' HG13 ' A' ' 72' ' ' VAL . 9.6 p -146.52 138.14 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -76.19 114.27 14.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.03 167.83 9.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.065 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -133.81 -43.88 0.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.46 ' OD1' ' C ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -97.86 156.11 16.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.8 mt -101.36 -47.24 4.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.9 mt -43.03 -47.25 5.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -90.43 153.78 20.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt -141.68 123.19 8.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.571 0.7 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 148.87 66.05 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.646 2.23 . . . . 0.0 112.359 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.6 m -114.4 139.52 49.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.204 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.675 ' HA ' HG12 ' A' ' 94' ' ' VAL . 5.7 tt -109.02 151.86 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -142.58 117.05 9.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -89.37 134.52 34.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.472 ' CE1' ' OD1' ' A' ' 51' ' ' ASP . 67.5 m-85 -126.12 171.74 10.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.455 ' HD3' ' N ' ' A' ' 47' ' ' GLY . 11.1 tmtt? -162.15 145.88 12.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.455 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 69.55 -132.44 24.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.52 ' HD2' ' CE2' ' A' ' 49' ' ' TRP . 6.5 tmtm? -104.4 -55.89 2.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.52 ' CE2' ' HD2' ' A' ' 48' ' ' LYS . 17.8 m95 -112.15 -31.81 6.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.496 ' CE ' HD23 ' A' ' 52' ' ' LEU . 5.9 ttp -42.78 118.65 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.589 ' OD2' ' HB3' ' A' ' 53' ' ' ALA . 18.5 t70 -112.77 101.96 10.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.496 HD23 ' CE ' ' A' ' 50' ' ' MET . 33.7 mt -49.75 -39.23 36.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.589 ' HB3' ' OD2' ' A' ' 51' ' ' ASP . . . -43.1 -49.12 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 p -79.47 -20.82 46.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt -74.03 -28.89 61.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.601 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -55.36 119.84 6.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -164.16 -68.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.439 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -123.07 -63.68 1.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -64.0 -29.19 70.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.601 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.9 tp -121.06 146.15 47.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.401 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 35.4 mm-40 -148.42 124.31 10.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.0 mt -94.71 162.44 13.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -138.37 145.57 41.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -152.19 126.05 9.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.597 HG23 ' OE2' ' A' ' 67' ' ' GLU . 15.1 t -138.08 166.27 24.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.453 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 39.2 t80 -128.01 144.14 51.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.597 ' OE2' HG23 ' A' ' 65' ' ' THR . 12.8 mp0 -126.05 95.61 4.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.459 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -63.66 -28.89 70.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -51.29 -37.78 49.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.8 m -123.06 -0.23 8.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 31.7 mtm-85 59.5 48.58 9.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 31' ' ' VAL . 87.4 t -139.17 133.19 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.574 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 37.6 m-85 -90.57 137.77 32.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.513 ' O ' HG22 ' A' ' 65' ' ' THR . 16.4 m -115.32 106.0 13.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 73' ' ' TYR . 7.8 m-85 -105.45 133.45 50.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.401 ' HG2' HD13 ' A' ' 28' ' ' ILE . 20.9 mt-10 -125.03 167.29 14.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 47.1 ttp -134.85 99.37 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -88.32 111.85 22.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.949 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.49 HG12 HD12 ' A' ' 60' ' ' LEU . 2.8 mt -103.16 117.0 47.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.452 HG22 ' HG3' ' A' ' 81' ' ' LYS . 2.3 mp -102.86 130.89 52.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.452 ' HG3' HG22 ' A' ' 80' ' ' ILE . 18.2 mttm 61.04 52.83 3.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.68 112.63 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.083 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -86.91 168.3 13.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.3 -10.86 3.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -85.97 -16.29 38.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -78.71 -6.39 55.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.018 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -90.4 124.98 35.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.067 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 166.05 -134.43 3.29 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -116.73 123.72 47.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.624 ' CB ' ' CE2' ' A' ' 105' ' ' PHE . 3.7 m-85 -101.32 159.28 15.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -152.8 123.71 7.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.0 p -115.42 137.58 51.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.462 ' HG2' ' CB ' ' A' ' 102' ' ' SER . 30.7 mt-10 -134.4 132.19 39.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.675 HG12 ' HA ' ' A' ' 42' ' ' ILE . 3.3 m -134.75 117.5 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.0 m -100.47 113.39 26.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.1 t80 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 -179.906 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -137.68 148.26 45.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.462 ' CB ' ' HG2' ' A' ' 93' ' ' GLU . 59.6 p -145.6 168.26 21.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 30.8 p -147.73 -178.87 6.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.9 m -140.99 143.86 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.624 ' CE2' ' CB ' ' A' ' 90' ' ' TYR . 0.5 OUTLIER -142.78 -176.79 5.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.3 150.93 49.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -130.55 129.87 43.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.4 ' CB ' HG23 ' A' ' 18' ' ' THR . 40.2 mt-10 -107.53 147.18 30.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 1.018 HG23 ' HB2' ' A' ' 87' ' ' ALA . 38.6 t -128.25 122.19 57.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.429 ' NE2' HG21 ' A' ' 18' ' ' THR . 17.5 m170 -103.29 140.98 36.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -64.48 123.63 19.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.846 -179.776 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.706 HD11 ' HB2' ' A' ' 32' ' ' LYS . 28.0 mm . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.796 0.331 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -109.55 143.17 39.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -107.99 140.31 21.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.594 0.711 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 83.11 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.735 2.29 . . . . 0.0 112.328 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -62.93 107.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.4 167.19 0.43 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.456 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.52 -146.91 4.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.489 HG23 ' CB ' ' A' ' 108' ' ' GLU . 14.1 m -142.65 110.91 6.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 0.0 111.098 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.7 p -106.07 141.66 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.94 153.65 39.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.3 t -63.11 123.16 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.16 -16.94 59.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -74.91 -175.3 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.5 p-10 -130.27 120.95 25.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.5 tt -123.04 151.54 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.2 m -134.72 141.94 46.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -107.69 153.33 23.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.487 HD13 ' HG2' ' A' ' 76' ' ' GLU . 35.9 mm -113.18 139.26 39.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.161 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -148.1 117.76 7.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.0 mtmt -116.82 148.86 40.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.925 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.491 ' O ' HG13 ' A' ' 72' ' ' VAL . 14.9 p -141.99 139.48 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.706 ' HB2' HD11 ' A' ' 11' ' ' ILE . 7.6 tptt -76.17 127.58 33.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -123.01 159.65 27.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -124.98 -44.46 1.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -93.56 131.96 38.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 40.6 mt -73.61 -50.4 21.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 mt -53.27 -47.45 69.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -72.96 143.91 47.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.475 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 33.5 ttmt -140.86 122.05 9.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.504 0.669 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.421 ' HD2' ' CE1' ' A' ' 73' ' ' TYR . 54.0 Cg_endo -69.78 139.55 40.41 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 65.8 m -97.61 144.69 27.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.721 HD11 ' SG ' ' A' ' 92' ' ' CYS . 11.8 tt -123.93 147.91 28.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.59 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 1.7 tppp? -136.33 126.74 26.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.404 ' HB3' HD12 ' A' ' 52' ' ' LEU . 42.9 m95 -96.72 124.87 40.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.59 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 64.0 m-85 -122.02 170.34 9.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 47' ' ' GLY . 11.0 tmtt? -160.56 145.67 14.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.411 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 70.24 -131.04 22.18 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.506 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.553 ' HB3' ' CD1' ' A' ' 49' ' ' TRP . 3.8 tmtp? -104.23 -56.51 2.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.758 0.313 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.553 ' CD1' ' HB3' ' A' ' 48' ' ' LYS . 4.3 m95 -113.41 -30.53 6.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.941 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.586 ' CE ' HD23 ' A' ' 52' ' ' LEU . 2.8 ttp -43.74 114.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.498 ' CG ' ' CE1' ' A' ' 45' ' ' PHE . 32.8 t0 -108.62 100.12 9.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.586 HD23 ' CE ' ' A' ' 50' ' ' MET . 42.4 mt -44.56 -34.56 2.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.925 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.456 ' HB3' ' OD2' ' A' ' 51' ' ' ASP . . . -45.87 -50.84 13.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.59 -11.96 59.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.456 ' CE ' ' HG2' ' A' ' 50' ' ' MET . 50.8 mmtt -85.1 -19.23 32.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.728 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -67.14 113.18 4.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.072 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -154.18 -71.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.51 ' CG ' ' N ' ' A' ' 59' ' ' HIS . 2.7 ptpp? -124.16 -48.49 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.787 0.327 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.51 ' N ' ' CG ' ' A' ' 58' ' ' LYS . 78.5 m-70 -77.28 -16.93 58.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.728 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.0 tp -134.32 145.68 49.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.932 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.412 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 21.0 mm100 -150.39 124.89 9.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.0 mt -91.05 162.59 14.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -138.2 148.39 44.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -151.64 129.04 11.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.481 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 11.7 t -140.4 157.47 45.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.172 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.515 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 35.9 t80 -128.64 144.77 51.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -127.86 91.92 3.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.452 ' HD2' ' CE2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -59.35 -24.87 63.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -52.98 -35.85 59.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.3 m -125.75 -0.58 7.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.462 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 34.5 mtm-85 60.07 45.52 11.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 31' ' ' VAL . 94.0 t -133.53 132.15 57.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 66' ' ' PHE . 85.6 m-85 -91.33 155.14 18.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.481 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 86.1 m -137.93 106.35 5.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -104.21 139.07 39.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.487 ' HG2' HD13 ' A' ' 28' ' ' ILE . 7.6 mt-10 -131.02 166.82 20.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 44.6 ttp -134.98 97.71 3.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -82.88 110.65 18.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.54 HG12 HD12 ' A' ' 60' ' ' LEU . 2.8 mt -102.42 112.14 34.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.496 ' H ' HD12 ' A' ' 80' ' ' ILE . 2.0 mp -97.68 136.34 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.169 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.4 mttt 55.74 50.64 13.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.78 115.23 1.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.081 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -89.68 173.9 8.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.84 -7.73 12.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -89.95 -12.49 38.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.564 ' O ' HD12 ' A' ' 107' ' ' LEU . 3.4 m-85 -83.52 1.1 43.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.042 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -99.49 129.72 45.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.092 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 160.43 -130.28 2.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -116.11 122.28 44.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.537 ' CB ' ' CE2' ' A' ' 105' ' ' PHE . 7.4 m-85 -102.56 135.6 43.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -125.69 121.55 33.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.721 ' SG ' HD11 ' A' ' 42' ' ' ILE . 2.9 t -114.12 138.09 50.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.468 ' OE1' ' CZ ' ' A' ' 100' ' ' PHE . 20.5 mm-40 -128.04 132.12 49.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 94' ' ' VAL . 3.4 p -125.68 113.03 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.5 m -104.42 112.48 25.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.1 t80 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 -179.906 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.468 ' CZ ' ' OE1' ' A' ' 93' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.828 0.347 . . . . 0.0 110.894 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -108.44 172.0 7.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.427 ' CB ' ' OE2' ' A' ' 93' ' ' GLU . 34.6 p -140.68 166.98 23.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 15.3 t -159.52 147.17 17.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 99.4 p -141.91 133.0 26.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.537 ' CE2' ' CB ' ' A' ' 90' ' ' TYR . 0.5 OUTLIER -136.25 179.98 6.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.858 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -128.66 125.69 38.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.596 HD13 ' N ' ' A' ' 108' ' ' GLU . 2.5 tm? -105.77 138.73 41.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.596 ' N ' HD13 ' A' ' 107' ' ' LEU . 11.6 mp0 -119.2 148.3 43.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 1.042 HG23 ' HB2' ' A' ' 87' ' ' ALA . 37.2 t -125.37 119.95 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.461 ' NE2' HG21 ' A' ' 18' ' ' THR . 18.3 m170 -103.0 141.73 35.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -63.59 120.6 12.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 29.1 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.816 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 12' ' ' GLU . 6.6 tt . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.802 0.334 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.46 ' N ' HG23 ' A' ' 11' ' ' ILE . 1.2 tp10 -106.76 153.81 21.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HG3' ' C ' ' A' ' 12' ' ' GLU . 2.9 mtmp? -142.45 136.56 14.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.711 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 119.24 6.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.319 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -92.45 27.4 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 38.28 -157.98 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.597 ' O ' HD22 ' A' ' 107' ' ' LEU . . . 171.83 -156.62 26.14 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.512 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.65 HG23 ' CB ' ' A' ' 108' ' ' GLU . 3.0 m -135.29 118.74 16.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 111.162 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.7 p -116.48 144.31 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.406 ' HD2' ' O ' ' A' ' 111' ' ' GLU . 1.0 OUTLIER -79.07 152.18 31.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 110' ' ' HIS . 80.0 t -60.67 116.56 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.133 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.78 -12.07 60.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -79.98 -177.15 5.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 110.936 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -128.68 121.75 29.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.5 tt -123.06 152.57 27.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 m -136.43 136.47 39.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.154 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -106.79 154.5 20.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.484 ' CG2' ' HE2' ' A' ' 30' ' ' LYS . 37.4 mm -115.56 134.48 58.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.088 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.41 112.72 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.069 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.484 ' HE2' ' CG2' ' A' ' 28' ' ' ILE . 21.6 mtmt -114.82 164.63 13.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.574 ' O ' HG13 ' A' ' 72' ' ' VAL . 10.0 p -140.04 144.54 27.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.161 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.9 tptt -77.08 122.02 24.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -123.73 147.1 47.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.084 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -118.66 -46.18 2.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -89.24 120.2 30.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 70.3 mt -66.56 -47.86 71.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 mt -50.19 -40.63 47.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -81.3 137.48 35.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.429 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 3.7 ttmm -130.44 120.13 18.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.611 0.719 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.4 ' HD2' ' CZ ' ' A' ' 73' ' ' TYR . 54.2 Cg_endo -69.7 168.98 19.9 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.9 m -134.28 132.24 39.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.465 ' HA ' HG22 ' A' ' 94' ' ' VAL . 6.5 tt -113.42 134.42 56.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -128.79 117.84 21.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.559 ' CE3' ' SG ' ' A' ' 92' ' ' CYS . 45.5 m95 -85.42 139.41 31.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -131.87 167.65 19.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.574 ' HD3' ' CE1' ' A' ' 90' ' ' TYR . 20.9 tptm -145.68 153.3 40.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.73 -127.2 40.89 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.508 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.614 ' HG3' ' CD1' ' A' ' 49' ' ' TRP . 16.3 tptm -102.91 -60.25 1.58 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.73 0.3 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.614 ' CD1' ' HG3' ' A' ' 48' ' ' LYS . 77.2 m95 -128.2 38.0 4.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.1 ttp -94.61 126.53 39.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -97.0 120.69 37.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.1 mt -82.95 -41.33 18.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -42.46 -42.5 3.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.2 t -72.37 -34.65 68.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -65.87 -35.27 80.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.606 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -54.24 112.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -157.88 -58.74 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -129.86 -58.24 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -70.29 -27.0 64.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.606 HD23 ' CA ' ' A' ' 56' ' ' ALA . 3.9 tp -124.55 145.5 49.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.406 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 29.5 mm-40 -148.26 125.73 11.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.7 mt -93.5 162.8 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -136.88 146.88 46.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -152.56 129.21 10.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.489 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 14.8 t -142.73 163.94 31.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.124 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.446 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 45.1 t80 -125.85 145.13 50.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -129.46 91.34 3.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.412 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -60.33 -32.48 71.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -38.02 -49.02 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.5 m -118.49 3.52 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.564 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 14.3 mtt85 62.96 41.73 8.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 31' ' ' VAL . 95.3 t -128.46 134.85 63.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.456 ' HB2' HG12 ' A' ' 31' ' ' VAL . 63.7 m-85 -90.76 152.4 20.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.489 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 11.5 m -131.49 114.53 15.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.45 ' C ' ' OE2' ' A' ' 76' ' ' GLU . 6.9 m-85 -113.93 141.2 47.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.45 ' OE2' ' C ' ' A' ' 75' ' ' PHE . 1.4 mp0 -135.04 166.82 22.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 45.2 ttp -134.96 99.98 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -85.67 108.78 18.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.523 HG12 HD12 ' A' ' 60' ' ' LEU . 2.6 mt -100.42 115.03 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.4 mp -100.22 134.77 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.5 mttt 57.54 47.89 15.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.03 114.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -89.34 166.16 13.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.32 -25.36 48.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -72.69 -16.73 61.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -78.87 -6.32 55.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.011 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -88.74 115.75 26.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 172.05 -153.13 18.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -98.28 120.52 38.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.357 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.651 ' CB ' ' CZ ' ' A' ' 105' ' ' PHE . 16.1 m-85 -98.42 150.52 21.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -134.85 156.43 48.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.559 ' SG ' ' CE3' ' A' ' 44' ' ' TRP . 1.8 m -144.51 145.32 31.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -139.68 120.56 14.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.465 HG22 ' HA ' ' A' ' 42' ' ' ILE . 85.3 t -127.49 104.37 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.776 HG23 ' HB2' ' A' ' 100' ' ' PHE . 6.2 m -94.2 118.68 31.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.5 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.888 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.776 ' HB2' HG23 ' A' ' 95' ' ' THR . 2.0 t80 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -122.7 149.46 44.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 79.5 p -145.37 139.07 26.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 50.6 m -140.35 165.62 26.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 37.5 m -142.12 164.27 30.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.651 ' CZ ' ' CB ' ' A' ' 90' ' ' TYR . 30.9 p90 -146.48 -175.67 4.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -128.68 124.7 36.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.597 HD22 ' O ' ' A' ' 17' ' ' GLY . 2.7 tm? -111.01 135.39 51.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.65 ' CB ' HG23 ' A' ' 18' ' ' THR . 38.2 mt-10 -115.11 144.46 43.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 1.011 HG23 ' HB2' ' A' ' 87' ' ' ALA . 20.6 t -124.77 116.99 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.468 ' O ' HG23 ' A' ' 21' ' ' VAL . 21.4 m170 -103.02 141.57 35.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.406 ' O ' ' HD2' ' A' ' 20' ' ' LYS . 13.2 mt-10 -62.11 128.67 37.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.757 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.919 HD11 ' HD2' ' A' ' 32' ' ' LYS . 73.4 mt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.785 0.326 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -98.48 156.95 16.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -132.32 128.06 21.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.544 0.688 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 107.49 1.88 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 16' ' ' GLY . 81.1 mm-40 -82.12 39.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 15' ' ' GLN . . . 37.94 -158.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.513 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.585 ' O ' HD22 ' A' ' 107' ' ' LEU . . . 174.22 -156.44 23.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.438 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.569 HG23 ' CB ' ' A' ' 108' ' ' GLU . 3.6 m -137.96 118.97 14.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.835 0.35 . . . . 0.0 111.175 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.8 p -115.55 141.88 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HD2' ' C ' ' A' ' 111' ' ' GLU . 1.1 tppp? -74.09 156.04 37.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 110' ' ' HIS . 62.7 t -62.59 123.95 16.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.54 -17.17 57.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.47 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -76.08 -176.6 3.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.869 -179.862 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.735 ' OD2' HG23 ' A' ' 80' ' ' ILE . 3.4 m-20 -131.16 132.38 44.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.429 ' CG1' ' N ' ' A' ' 26' ' ' THR . 10.4 tt -129.16 157.63 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.429 ' N ' ' CG1' ' A' ' 25' ' ' ILE . 5.2 m -138.06 138.08 38.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -108.17 145.21 34.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.414 HD13 ' HG2' ' A' ' 76' ' ' GLU . 36.6 mm -103.41 147.33 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.129 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -159.61 115.18 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -109.61 148.35 31.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.564 ' O ' HG13 ' A' ' 72' ' ' VAL . 98.4 t -134.55 138.65 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.919 ' HD2' HD11 ' A' ' 11' ' ' ILE . 8.6 tptt -76.63 132.91 39.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.769 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -132.6 155.57 48.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -127.88 -45.15 1.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -97.94 117.43 32.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.0 mt -56.89 -46.19 82.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 mt -54.6 -42.54 71.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.8 mmp_? -76.03 124.03 26.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -125.87 116.92 24.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.552 0.691 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 162.47 41.96 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.697 2.265 . . . . 0.0 112.36 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.1 m -120.54 140.44 51.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.1 tt -119.59 131.23 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.439 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 3.3 tppt? -130.3 115.85 17.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.662 ' HB3' HD12 ' A' ' 52' ' ' LEU . 34.8 m95 -84.67 135.25 34.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.439 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 52.1 m-85 -129.5 155.95 44.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.913 ' HB2' HD21 ' A' ' 52' ' ' LEU . 3.2 tttt -140.14 162.54 35.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.48 -127.25 43.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.509 ' HG2' ' CE2' ' A' ' 49' ' ' TRP . 19.7 ttmt -104.07 -58.4 1.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.328 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.509 ' CE2' ' HG2' ' A' ' 48' ' ' LYS . 5.2 m95 -127.91 19.31 6.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.879 ' HE1' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -77.74 129.09 35.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.492 ' N ' ' SD ' ' A' ' 50' ' ' MET . 23.5 t70 -107.39 112.38 25.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.913 HD21 ' HB2' ' A' ' 46' ' ' LYS . 15.8 mt -65.06 -32.38 74.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.475 ' HB3' ' OD2' ' A' ' 51' ' ' ASP . . . -48.6 -34.33 11.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.4 t -77.14 -31.17 55.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm -72.09 -26.13 62.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.47 114.67 2.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.28 -76.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -120.2 -38.75 2.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.771 0.32 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 80' ' ' ILE . 85.5 m-70 -81.3 -35.06 31.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.83 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.588 HD21 ' CD2' ' A' ' 62' ' ' LEU . 5.2 tt -127.67 142.0 51.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -140.12 117.18 11.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.588 ' CD2' HD21 ' A' ' 60' ' ' LEU . 14.3 mt -83.38 164.9 19.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -137.87 154.53 49.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -152.69 132.62 13.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.46 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 4.7 t -147.78 159.1 44.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -129.69 151.02 50.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -129.04 96.25 4.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -24.85 67.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -50.66 -43.56 57.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.6 m -122.31 7.2 9.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.769 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 30.7 mtm-85 56.7 37.18 28.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 31' ' ' VAL . 86.8 t -119.84 136.36 57.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -93.53 153.63 18.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.46 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 58.9 m -137.37 108.94 6.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.15 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -107.9 133.92 51.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HG2' HD13 ' A' ' 28' ' ' ILE . 6.2 mt-10 -121.53 167.73 12.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.513 ' SD ' ' CG1' ' A' ' 79' ' ' ILE . 9.9 tmm? -140.01 106.2 5.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -93.24 133.16 36.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.513 ' CG1' ' SD ' ' A' ' 77' ' ' MET . 2.0 mt -121.82 107.27 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.735 HG23 ' OD2' ' A' ' 24' ' ' ASP . 1.6 mp -92.75 131.82 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.8 mttt 66.37 49.06 1.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.09 105.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.6 mttp -82.32 165.58 20.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -60.68 -15.1 25.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.425 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 2.5 m-80 -84.98 -5.22 59.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -86.98 -11.38 50.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.08 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -82.93 112.34 19.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -178.35 -149.15 7.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.522 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -105.83 118.7 37.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.578 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 8.9 m-85 -98.14 168.63 10.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -148.59 139.14 22.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 47.0 t -116.99 126.34 52.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.437 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 14.7 mp0 -123.36 122.96 39.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 62.6 t -139.28 119.63 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.8 m -103.72 157.36 17.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 6.2 t80 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.945 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 11.0 t80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.879 0.371 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -144.91 133.92 22.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.4 p -118.44 140.75 49.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 18.9 p -133.76 139.31 46.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 90.3 p -112.9 140.26 47.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 90' ' ' TYR . 2.0 p90 -124.11 -177.45 3.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.87 126.18 44.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.585 HD22 ' O ' ' A' ' 17' ' ' GLY . 2.6 tm? -115.13 127.12 55.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.569 ' CB ' HG23 ' A' ' 18' ' ' THR . 15.6 mm-40 -110.45 157.0 20.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 1.08 HG23 ' HB2' ' A' ' 87' ' ' ALA . 21.5 t -133.57 121.81 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.459 ' O ' HG23 ' A' ' 21' ' ' VAL . 21.5 m170 -103.29 146.13 28.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.4 ' C ' ' HD2' ' A' ' 20' ' ' LYS . 27.9 mt-10 -67.81 123.07 19.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 31.0 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.848 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.42 HD13 ' HA ' ' A' ' 11' ' ' ILE . 17.0 mm . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.773 0.32 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -99.04 157.1 16.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -126.65 143.17 45.5 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.578 0.704 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 97.64 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.643 2.228 . . . . 0.0 112.363 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -73.63 108.61 6.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.88 169.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.71 ' O ' HD22 ' A' ' 107' ' ' LEU . . . -161.47 -162.64 13.14 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.428 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.573 HG23 ' CB ' ' A' ' 108' ' ' GLU . 6.6 m -131.18 113.76 14.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.827 0.346 . . . . 0.0 111.15 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.0 p -109.36 139.66 31.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.435 ' HB3' ' CD ' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -73.6 149.61 41.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.7 t -59.04 119.0 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.34 -17.03 57.44 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.416 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.501 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 0.9 OUTLIER -78.89 -177.56 5.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -179.873 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.64 130.28 48.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.858 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.8 tt -129.85 152.68 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.5 m -137.91 141.23 40.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -110.17 141.92 42.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.465 HD13 ' HG2' ' A' ' 76' ' ' GLU . 33.9 mm -101.61 135.89 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -147.05 113.34 5.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -108.04 151.4 25.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 72' ' ' VAL . 13.2 t -137.98 137.28 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -75.94 127.11 32.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -124.28 164.26 19.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -128.93 -45.47 1.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -96.75 124.16 40.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.4 mt -59.4 -44.76 92.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mt -60.7 -54.56 43.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.8 mmp_? -56.7 124.36 18.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.439 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 29.6 ttmt -127.54 119.29 21.6 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.568 0.699 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 172.24 13.01 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.713 2.275 . . . . 0.0 112.33 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.2 m -129.32 131.49 46.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.119 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.535 ' HA ' HG22 ' A' ' 94' ' ' VAL . 6.9 tt -114.2 123.9 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.139 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -119.64 118.05 29.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -85.74 147.24 26.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 91' ' ' ARG . 55.3 m-85 -142.24 160.63 39.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.848 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.714 ' HB2' HD21 ' A' ' 52' ' ' LEU . 13.1 tmtt? -146.35 145.56 30.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.466 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 69.07 -133.56 26.63 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.486 ' HD3' ' NE1' ' A' ' 49' ' ' TRP . 0.1 OUTLIER -103.86 -51.17 3.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.759 0.314 . . . . 0.0 110.885 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.486 ' NE1' ' HD3' ' A' ' 48' ' ' LYS . 15.1 m95 -115.06 -33.83 5.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.8 ttp -44.14 121.8 2.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.569 ' OD2' ' HB3' ' A' ' 53' ' ' ALA . 10.5 t0 -113.45 112.94 24.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.823 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.714 HD21 ' HB2' ' A' ' 46' ' ' LYS . 36.2 mt -56.55 -38.58 72.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.569 ' HB3' ' OD2' ' A' ' 51' ' ' ASP . . . -45.11 -46.96 12.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.4 t -74.68 -28.23 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -71.49 -29.49 64.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.737 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -56.33 122.41 11.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -179.71 -53.41 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.437 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -129.06 -72.07 0.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 80' ' ' ILE . 94.9 m-70 -65.32 -15.27 62.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.737 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.5 tp -133.63 144.53 49.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.407 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 9.3 mm-40 -148.51 122.82 9.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.605 HD23 ' HG2' ' A' ' 77' ' ' MET . 16.2 mt -91.34 164.57 13.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -139.06 153.05 48.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -152.53 136.01 15.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.476 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 6.6 t -144.88 165.72 27.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.135 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.508 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 47.2 t80 -132.97 140.81 47.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -125.05 94.22 4.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.43 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -63.96 -27.93 69.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -44.27 -49.31 9.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.0 m -120.65 8.31 10.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.525 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 10.5 mtt85 56.8 51.67 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.928 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 31' ' ' VAL . 52.3 t -130.09 129.82 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.508 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 70.8 m-85 -93.35 135.31 34.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.476 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 91.3 m -121.39 116.3 24.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.168 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.466 ' CE1' ' HB3' ' A' ' 73' ' ' TYR . 15.1 m-85 -115.16 128.37 56.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.465 ' HG2' HD13 ' A' ' 28' ' ' ILE . 4.4 mt-10 -115.35 168.6 9.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.605 ' HG2' HD23 ' A' ' 62' ' ' LEU . 12.0 tmm? -141.53 105.05 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -87.43 139.87 30.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.566 HG12 HD12 ' A' ' 60' ' ' LEU . 2.2 mt -127.27 100.15 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.673 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.2 mp -86.87 143.23 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.8 mttm 49.67 48.79 21.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.74 117.89 2.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.2 mttm -93.18 166.78 12.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.59 -25.15 59.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -72.5 -16.37 61.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.464 ' O ' HD12 ' A' ' 107' ' ' LEU . 3.5 m-85 -78.07 -9.16 59.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.974 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -88.06 122.59 31.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 163.49 -152.68 22.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -92.0 128.12 37.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -108.95 136.24 48.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 45' ' ' PHE . 5.8 ttt180 -128.42 139.17 52.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 41.8 t -129.2 159.1 37.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -148.39 119.25 7.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.535 HG22 ' HA ' ' A' ' 42' ' ' ILE . 73.3 t -126.84 110.18 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.895 HG23 ' HB2' ' A' ' 100' ' ' PHE . 5.2 m -102.67 127.6 49.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.8 t80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.895 ' HB2' HG23 ' A' ' 95' ' ' THR . 1.7 t80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.898 0.38 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -116.38 153.21 32.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 79.4 p -148.64 134.51 19.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 11.2 m -152.59 135.36 15.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 98.8 p -115.63 152.5 33.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.443 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 2.2 p90 -136.93 -175.21 3.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.34 139.72 52.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.71 HD22 ' O ' ' A' ' 17' ' ' GLY . 3.4 tm? -125.44 127.76 47.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.573 ' CB ' HG23 ' A' ' 18' ' ' THR . 21.3 mt-10 -107.99 151.82 25.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.974 HG23 ' HB2' ' A' ' 87' ' ' ALA . 23.5 t -132.08 119.65 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -103.17 143.39 32.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -61.83 127.78 33.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.794 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.66 HD11 ' HD3' ' A' ' 32' ' ' LYS . 29.7 mm . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.776 0.322 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -99.92 159.12 15.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -128.98 131.05 23.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.583 0.706 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 82.7 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.694 2.263 . . . . 0.0 112.344 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -70.24 102.87 2.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.03 164.7 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.92 -143.97 3.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.495 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.59 HG23 ' CB ' ' A' ' 108' ' ' GLU . 6.0 m -142.73 118.91 10.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 111.169 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.8 p -116.19 144.89 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -76.28 153.75 35.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 110' ' ' HIS . 54.5 t -61.76 120.4 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.95 -15.92 61.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.465 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.3 179.04 6.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.902 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -126.07 122.87 37.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.9 tt -123.09 151.67 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.8 m -134.77 142.16 46.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -110.22 142.39 41.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.483 HD13 ' HG2' ' A' ' 76' ' ' GLU . 34.3 mm -101.94 138.78 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.3 114.9 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.094 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -115.91 156.23 26.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.444 ' CG1' ' HB2' ' A' ' 73' ' ' TYR . 9.8 p -141.94 138.18 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.143 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.66 ' HD3' HD11 ' A' ' 11' ' ' ILE . 3.3 tptm -77.41 117.6 19.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -115.16 152.78 31.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -116.69 -47.28 2.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -89.73 160.67 16.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.8 mt -104.53 -41.87 5.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.507 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.1 mm? -56.46 -30.87 63.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -96.55 142.77 28.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -134.07 121.44 15.68 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.557 0.694 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 118.29 5.59 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.655 2.236 . . . . 0.0 112.356 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.4 m -83.07 135.69 34.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.182 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.443 ' O ' HG23 ' A' ' 42' ' ' ILE . 7.9 tt -115.28 125.41 72.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -120.4 117.41 27.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.938 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -83.94 144.17 29.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.969 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.46 ' CE1' ' OD1' ' A' ' 51' ' ' ASP . 52.2 m-85 -140.05 164.52 29.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER -159.79 145.95 15.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.468 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 76.64 -131.38 11.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -104.31 -53.84 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.409 ' CD1' ' N ' ' A' ' 49' ' ' TRP . 0.8 OUTLIER -122.18 -25.95 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.427 ' CE ' HD23 ' A' ' 52' ' ' LEU . 6.7 ttp -43.19 129.54 4.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.46 ' OD1' ' CE1' ' A' ' 45' ' ' PHE . 42.0 t0 -117.82 106.63 13.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.427 HD23 ' CE ' ' A' ' 50' ' ' MET . 35.8 mt -53.42 -32.74 51.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -46.58 -53.74 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.28 -11.96 60.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -83.56 -32.4 25.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.728 ' N ' HD23 ' A' ' 60' ' ' LEU . . . -60.7 114.17 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.091 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 161.37 -34.88 0.39 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -100.94 -72.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.415 ' O ' ' O ' ' A' ' 80' ' ' ILE . 33.9 m80 -112.45 7.05 18.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.728 HD23 ' N ' ' A' ' 56' ' ' ALA . 4.9 tp -131.28 145.64 51.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 78' ' ' GLN . 58.0 mm-40 -149.42 124.16 9.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.2 mt -96.31 165.59 12.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -139.98 149.84 43.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -151.81 129.82 11.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.463 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 13.1 t -144.36 159.2 43.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.558 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 44.4 t80 -125.54 146.58 49.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -129.51 92.23 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -33.46 71.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -39.23 -43.2 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.5 p -123.4 2.36 9.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 15.6 mtt85 62.2 43.5 8.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 31' ' ' VAL . 71.5 t -126.86 138.59 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 66' ' ' PHE . 67.3 m-85 -98.22 145.69 26.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.463 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 11.0 m -127.41 107.87 10.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 73' ' ' TYR . 9.0 m-85 -109.52 124.67 51.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.483 ' HG2' HD13 ' A' ' 28' ' ' ILE . 10.9 mt-10 -113.71 165.33 12.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 35.3 ttp -135.05 100.41 4.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' GLN . 2.4 tt0 -84.53 133.01 34.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.48 HG12 HD12 ' A' ' 60' ' ' LEU . 2.2 mt -123.76 103.82 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.645 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.3 mp -89.51 147.62 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 32.2 mttt 44.62 51.41 8.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.12 106.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 45.7 mttt -79.73 158.39 26.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.966 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.419 ' HA ' HG11 ' A' ' 109' ' ' VAL . 13.2 m-20 -56.16 -17.59 7.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -80.01 -21.65 43.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.405 ' CE2' HG23 ' A' ' 79' ' ' ILE . 5.0 m-85 -66.28 -5.93 12.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.647 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -85.69 127.59 34.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 166.04 -148.72 14.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -105.73 119.57 39.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.401 ' CE1' ' HB3' ' A' ' 107' ' ' LEU . 6.5 m-85 -98.71 157.21 16.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -151.64 127.09 10.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 13.2 p -112.26 146.82 37.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -128.07 120.2 26.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 94' ' ' VAL . 9.6 p -116.71 107.54 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.2 p -97.65 157.19 16.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 5.3 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.866 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.8 t80 . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.87 0.367 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.419 ' HB2' ' CG1' ' A' ' 94' ' ' VAL . 32.3 m-20 -129.97 157.22 42.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 55.4 p -143.78 123.02 12.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 62.4 m -123.94 162.42 23.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 90.4 p -139.73 139.41 36.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.581 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 0.1 OUTLIER -133.18 162.27 32.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -111.69 124.73 52.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.65 HD13 ' C ' ' A' ' 107' ' ' LEU . 3.2 tm? -110.36 129.47 55.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.59 ' CB ' HG23 ' A' ' 18' ' ' THR . 27.5 mt-10 -109.28 151.02 27.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.647 HG23 ' HB2' ' A' ' 87' ' ' ALA . 39.7 t -130.06 117.99 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.423 ' O ' HG23 ' A' ' 21' ' ' VAL . 20.0 m170 -103.26 144.7 31.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -63.83 130.26 43.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.811 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.556 HG23 ' N ' ' A' ' 12' ' ' GLU . 2.2 tp . . . . . 0 N--CA 1.458 -0.043 0 CA-C-O 120.789 0.328 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.556 ' N ' HG23 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -89.68 144.54 25.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.493 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 13.2 mmmt -128.5 114.94 19.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.606 0.717 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 97.43 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.311 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' A' ' 13' ' ' LYS . 19.0 mp0 -78.93 115.5 18.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.0 159.77 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.11 -157.69 7.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.518 HG23 ' HB3' ' A' ' 108' ' ' GLU . 4.4 m -137.41 114.82 11.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 111.088 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.8 p -111.51 142.99 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -76.28 150.69 36.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.0 t -59.48 114.88 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.149 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.24 -11.12 60.11 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -81.93 177.25 8.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -122.63 119.78 31.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.7 tt -116.46 153.96 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 m -136.39 132.58 35.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -109.23 133.43 53.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.59 HD13 ' HG2' ' A' ' 76' ' ' GLU . 28.6 mm -91.91 127.84 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.34 112.03 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.42 ' HG3' ' CG1' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -128.09 156.48 42.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.817 ' O ' HG13 ' A' ' 72' ' ' VAL . 2.3 p -121.86 147.34 25.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -78.86 111.91 15.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -109.6 153.28 24.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -124.18 -47.63 1.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -85.72 140.28 30.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.8 mt -82.08 -50.35 9.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 mt -47.75 -41.37 23.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -83.38 154.43 24.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -146.58 119.88 5.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.556 ' HD2' ' CE1' ' A' ' 73' ' ' TYR . 54.0 Cg_endo -69.73 166.0 29.02 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.431 ' O ' HG23 ' A' ' 94' ' ' VAL . 90.8 m -138.34 133.95 33.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.588 HD11 ' SG ' ' A' ' 92' ' ' CYS . 9.2 tt -104.2 153.65 6.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.567 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -143.56 123.29 13.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -97.72 131.07 44.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.961 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.567 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 54.1 m-85 -126.59 157.47 38.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.8 ' HB2' HD21 ' A' ' 52' ' ' LEU . 22.0 tptm -135.95 147.08 47.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.92 -131.3 42.94 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 tttt -103.85 -49.48 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.747 0.308 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 19.3 m95 -116.51 -35.04 4.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.423 ' HE2' HD23 ' A' ' 52' ' ' LEU . 2.1 ttp -42.3 113.9 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -104.13 118.21 36.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.8 HD21 ' HB2' ' A' ' 46' ' ' LYS . 38.5 mt -65.3 -41.49 94.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -42.78 -34.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.0 t -85.34 -29.7 24.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' LEU . 65.7 mmtt -71.58 -28.62 63.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.731 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -54.36 109.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -157.88 -62.26 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.518 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -126.11 -58.4 1.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.334 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 80' ' ' ILE . 87.2 m-70 -71.02 -18.67 62.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.731 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.2 tp -132.61 145.65 51.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.4 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 27.0 mm-40 -148.55 124.52 10.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.5 mt -93.15 158.12 15.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -135.21 147.3 49.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -149.99 132.85 16.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.508 HG22 ' O ' ' A' ' 74' ' ' THR . 11.2 t -146.37 152.78 39.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.558 ' HB2' ' CD2' ' A' ' 73' ' ' TYR . 31.8 t80 -119.57 139.57 51.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -121.86 88.68 2.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.458 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -53.61 -27.45 26.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -52.79 -34.55 53.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.802 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.3 m -124.61 -6.48 7.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.823 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.497 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 21.6 mtt180 64.67 47.44 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.817 HG13 ' O ' ' A' ' 31' ' ' VAL . 87.4 t -139.04 131.03 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.076 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.562 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 34.8 m-85 -89.63 121.24 31.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.508 ' O ' HG22 ' A' ' 65' ' ' THR . 34.7 m -97.48 103.92 15.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 73' ' ' TYR . 14.7 m-85 -100.78 136.52 40.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.59 ' HG2' HD13 ' A' ' 28' ' ' ILE . 15.5 mt-10 -126.94 166.81 16.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 48.1 ttp -134.94 99.04 4.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.32 111.21 20.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.536 HG12 HD12 ' A' ' 60' ' ' LEU . 2.7 mt -103.03 108.03 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.612 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.3 mp -92.92 147.44 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.5 mttt 44.63 52.07 7.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.23 124.42 17.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.065 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -99.6 175.96 5.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.13 -7.7 13.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -90.25 -15.57 31.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.405 ' CD2' ' CG2' ' A' ' 79' ' ' ILE . 3.0 m-85 -81.15 -6.42 58.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.027 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -98.13 113.14 24.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 179.31 -136.56 2.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.512 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -109.95 115.09 29.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.569 ' CE1' ' HD3' ' A' ' 46' ' ' LYS . 7.1 m-85 -95.88 151.82 19.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.466 ' NH1' ' CB ' ' A' ' 104' ' ' SER . 0.1 OUTLIER -137.63 121.35 17.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.588 ' SG ' HD11 ' A' ' 42' ' ' ILE . 36.9 t -111.28 138.67 47.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -139.04 123.04 17.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 94' ' ' VAL . 7.1 p -129.26 106.32 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.788 HG23 ' HB2' ' A' ' 100' ' ' PHE . 3.3 m -93.17 124.57 37.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 9.6 t80 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.911 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.788 ' HB2' HG23 ' A' ' 95' ' ' THR . 2.4 t80 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.882 0.372 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -117.4 153.81 32.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.0 t -147.73 158.28 43.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 30.3 p -155.95 161.86 40.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.466 ' CB ' ' NH1' ' A' ' 91' ' ' ARG . 91.2 p -139.96 157.11 46.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.555 ' CD2' ' HB2' ' A' ' 90' ' ' TYR . 1.0 OUTLIER -156.25 -178.09 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -131.08 134.6 46.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.845 HD23 ' N ' ' A' ' 108' ' ' GLU . 2.7 tt -113.61 143.24 44.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.845 ' N ' HD23 ' A' ' 107' ' ' LEU . 4.0 mm-40 -119.39 153.15 35.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 1.027 HG23 ' HB2' ' A' ' 87' ' ' ALA . 66.2 t -134.71 121.83 36.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.173 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -103.34 144.43 31.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -63.78 127.82 33.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.5 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.806 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.9 tt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.807 0.337 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -114.75 155.56 26.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -143.99 140.18 16.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.618 0.723 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 118.37 5.64 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.716 2.278 . . . . 0.0 112.317 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -89.98 20.49 4.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 41.94 -160.78 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.439 ' O ' HD22 ' A' ' 107' ' ' LEU . . . 172.04 -151.04 13.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.497 HG23 ' CB ' ' A' ' 108' ' ' GLU . 6.1 m -141.1 118.84 11.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 111.161 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.9 p -112.35 139.28 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.156 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.3 154.38 38.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.5 t -61.46 119.58 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.91 -17.26 59.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.9 -175.43 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -131.75 122.15 25.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.6 tt -121.29 153.5 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 m -135.26 129.34 33.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -98.8 151.86 20.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.3 mm -115.13 135.73 54.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -158.68 113.43 2.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -113.16 169.73 8.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.62 ' O ' HG13 ' A' ' 72' ' ' VAL . 10.4 p -143.0 140.46 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -75.89 118.8 19.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -117.53 159.2 23.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -123.31 -47.75 1.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.45 159.82 17.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.6 mt -105.06 -44.64 4.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.452 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.5 mm? -50.08 -40.52 45.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.1 mmt-85 -87.95 151.53 22.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.444 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 31.4 ttmt -144.23 122.01 6.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.553 0.692 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 173.85 10.41 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.637 2.224 . . . . 0.0 112.365 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.0 m -136.69 139.73 42.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.149 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.458 HG21 ' HB3' ' A' ' 75' ' ' PHE . 14.8 tt -115.4 128.16 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.599 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 2.9 tppp? -121.32 116.54 25.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.604 ' CE3' ' SG ' ' A' ' 92' ' ' CYS . 57.5 m95 -86.11 132.2 34.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.599 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 49.4 m-85 -126.81 149.41 49.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.759 ' HB2' HD21 ' A' ' 52' ' ' LEU . 20.0 tptp -125.52 142.46 51.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.97 -130.98 39.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.504 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.445 ' HG2' ' CD1' ' A' ' 49' ' ' TRP . 12.2 ttpt -104.35 -52.78 2.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.445 ' CD1' ' HG2' ' A' ' 48' ' ' LYS . 16.7 m95 -109.47 -37.5 5.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -42.48 116.59 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.415 ' OD2' ' HB3' ' A' ' 53' ' ' ALA . 15.0 t70 -108.76 116.49 32.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.759 HD21 ' HB2' ' A' ' 46' ' ' LYS . 54.8 mt -62.05 -43.27 99.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.454 ' CB ' ' HD2' ' A' ' 43' ' ' LYS . . . -41.95 -34.69 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.0 t -85.85 -27.32 25.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 52' ' ' LEU . 35.2 mmtm -75.26 -29.76 60.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.672 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -55.54 110.43 0.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -153.74 -62.25 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.521 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm -131.05 -50.32 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -74.04 -23.88 59.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.672 HD23 ' CA ' ' A' ' 56' ' ' ALA . 3.3 tp -127.47 146.47 50.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.419 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 35.7 mm-40 -149.08 126.41 11.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.2 mt -94.54 165.46 12.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -141.06 145.98 36.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -152.01 126.93 9.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.477 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 15.3 t -141.2 163.92 31.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.558 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 28.0 t80 -127.87 143.26 51.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -122.23 92.86 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.4 ' HA ' ' CZ ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -60.0 -26.52 66.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -54.56 -36.25 64.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 t -123.23 -1.56 8.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.688 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 19.0 mtt180 62.51 35.05 14.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 31' ' ' VAL . 81.3 t -126.03 140.62 48.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 66' ' ' PHE . 58.7 m-85 -96.06 148.99 22.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.477 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 28.6 m -124.06 103.85 8.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.458 ' HB3' HG21 ' A' ' 42' ' ' ILE . 10.0 m-85 -100.08 135.53 41.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -132.22 164.48 26.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 43.1 ttp -134.97 99.1 4.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -85.13 108.33 17.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.483 HG12 HD12 ' A' ' 60' ' ' LEU . 2.4 mt -100.67 114.42 39.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.4 mp -99.47 137.62 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 47.2 mttt 55.42 49.08 17.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.36 113.38 0.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -90.01 167.77 12.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.26 -16.77 15.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -80.53 -15.09 57.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -81.08 -11.26 59.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.021 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -86.04 128.68 34.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.059 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 159.19 -139.76 6.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -111.62 129.12 56.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.594 ' CB ' ' CZ ' ' A' ' 105' ' ' PHE . 5.3 m-85 -106.57 162.67 13.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -148.15 127.96 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.604 ' SG ' ' CE3' ' A' ' 44' ' ' TRP . 10.6 m -116.11 150.01 38.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -144.25 121.32 11.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.8 t -124.09 107.97 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.819 HG23 ' HB2' ' A' ' 100' ' ' PHE . 3.7 m -100.33 109.09 21.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 11.2 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.926 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.819 ' HB2' HG23 ' A' ' 95' ' ' THR . 2.7 t80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.894 0.378 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -125.81 146.77 49.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.8 p -138.27 164.73 28.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 14.8 p -158.27 164.1 36.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 60.7 p -137.3 147.11 45.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.594 ' CZ ' ' CB ' ' A' ' 90' ' ' TYR . 41.0 p90 -134.91 -175.02 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.846 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -128.07 133.39 49.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.524 HD13 ' N ' ' A' ' 108' ' ' GLU . 3.2 tm? -121.62 132.58 54.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.524 ' N ' HD13 ' A' ' 107' ' ' LEU . 6.3 mm-40 -115.21 153.9 30.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 1.021 HG23 ' HB2' ' A' ' 87' ' ' ALA . 39.5 t -133.45 118.75 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -103.0 142.73 33.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.825 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -60.52 129.91 43.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 44.8 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.8 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.464 HG23 ' N ' ' A' ' 12' ' ' GLU . 2.2 tp . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.819 0.342 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.464 ' N ' HG23 ' A' ' 11' ' ' ILE . 7.3 tp10 -114.97 158.67 21.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -140.07 130.93 14.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 113.53 3.41 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.376 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -87.24 27.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 37.89 -157.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 171.18 -156.4 26.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.474 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.636 HG23 ' CB ' ' A' ' 108' ' ' GLU . 7.1 m -138.95 115.62 10.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 0.0 111.151 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.1 p -110.25 141.72 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HB3' ' CD ' ' A' ' 23' ' ' GLU . 0.7 OUTLIER -73.97 152.41 40.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.901 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 110' ' ' HIS . 70.2 t -60.13 119.72 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.24 -17.39 59.21 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 1.6 mp0 -77.29 179.44 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.866 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -125.34 126.87 45.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.2 tt -122.97 155.56 28.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 m -138.66 137.24 36.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -108.78 146.76 33.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.8 mm -110.31 130.99 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.144 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.84 113.0 4.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -110.73 160.73 16.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.7 t -136.88 134.64 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -76.67 114.73 15.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -122.21 144.71 48.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.441 ' O ' ' CD ' ' A' ' 71' ' ' ARG . 36.3 mt-10 -109.52 -51.12 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -83.89 161.97 20.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.8 mt -104.31 -39.97 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.9 mm? -48.78 -44.84 39.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -84.67 136.21 33.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.494 ' HG2' ' CE2' ' A' ' 73' ' ' TYR . 0.5 OUTLIER -120.29 118.56 31.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 110.893 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.517 ' HD2' ' CZ ' ' A' ' 73' ' ' TYR . 53.3 Cg_endo -69.77 105.37 1.47 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.283 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.473 ' C ' HG23 ' A' ' 94' ' ' VAL . 9.5 m -85.03 129.01 34.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.6 tt -108.22 145.95 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -138.2 116.99 12.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.446 ' HB3' HD12 ' A' ' 52' ' ' LEU . 55.1 m95 -83.82 134.93 34.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.956 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -127.5 165.64 19.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.442 ' HB2' HD21 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -149.03 153.96 38.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.03 -131.93 36.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.534 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.587 ' HB3' ' CD1' ' A' ' 49' ' ' TRP . 12.9 mmtm -104.46 -51.9 3.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.75 0.309 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.587 ' CD1' ' HB3' ' A' ' 48' ' ' LYS . 1.1 m95 -133.48 38.19 3.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.7 ttp -98.96 134.42 41.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -110.12 116.29 31.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.446 HD12 ' HB3' ' A' ' 44' ' ' TRP . 79.0 mt -73.34 -40.02 64.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -41.01 -43.1 2.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.9 t -75.06 -36.96 61.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.9 mmtt -65.39 -33.15 75.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.618 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -54.38 107.8 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -146.41 -67.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.527 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.4 mtmm -126.16 -56.08 1.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.405 ' O ' ' N ' ' A' ' 80' ' ' ILE . 94.8 m-70 -66.18 -31.6 72.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.876 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.618 HD23 ' CA ' ' A' ' 56' ' ' ALA . 3.0 tp -119.78 146.31 45.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.415 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 41.5 mm-40 -149.74 126.81 11.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.455 ' CD2' ' HG3' ' A' ' 77' ' ' MET . 23.6 mt -93.6 162.92 13.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.8 tttm -136.5 146.77 46.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -151.46 131.14 13.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.479 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 7.0 t -146.32 149.83 34.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.667 ' CE1' ' CE1' ' A' ' 73' ' ' TYR . 66.2 t80 -120.37 144.5 47.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -129.84 88.95 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -50.33 -36.39 31.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.812 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 68' ' ' ARG . 1.5 m-70 -34.73 -63.23 0.32 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.3 p -102.29 -1.51 30.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.441 ' CD ' ' O ' ' A' ' 34' ' ' GLU . 17.0 mtt85 64.15 37.43 8.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 90.0 t -120.94 131.26 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.667 ' CE1' ' CE1' ' A' ' 66' ' ' PHE . 29.1 m-85 -89.65 140.62 29.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.479 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 17.8 m -121.92 110.14 15.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.127 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 73' ' ' TYR . 25.7 m-85 -111.45 136.4 50.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.454 ' OE2' ' C ' ' A' ' 75' ' ' PHE . 1.6 mp0 -130.5 167.69 18.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.455 ' HG3' ' CD2' ' A' ' 62' ' ' LEU . 44.7 ttp -134.99 101.8 5.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -87.5 110.47 20.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.524 HG12 HD12 ' A' ' 60' ' ' LEU . 3.2 mt -102.32 114.7 42.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 59' ' ' HIS . 2.3 mp -100.34 135.59 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 53.2 mttt 57.9 48.42 13.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.05 111.96 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.067 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -87.52 160.92 18.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -55.29 -20.87 12.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -74.67 -22.4 58.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -70.9 -18.02 62.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.915 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -74.36 110.29 8.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 179.06 -159.35 24.14 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.452 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -85.87 133.15 33.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.586 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 13.0 m-85 -119.58 124.7 47.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -114.85 120.99 41.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 32.1 p -105.24 129.3 53.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -134.23 117.37 16.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.473 HG23 ' C ' ' A' ' 41' ' ' THR . 2.9 p -135.67 112.16 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.522 ' HA ' ' CB ' ' A' ' 100' ' ' PHE . 31.3 m -93.47 155.53 17.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.438 ' N ' HG22 ' A' ' 95' ' ' THR . 15.5 t80 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.522 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 11.3 p90 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.821 0.343 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -134.86 114.69 12.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.8 p -104.66 170.47 7.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 2.0 t -148.02 176.81 9.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 84.2 p -141.81 137.51 31.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.586 ' CZ ' ' HB3' ' A' ' 90' ' ' TYR . 5.0 p90 -137.8 154.13 49.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -106.24 131.65 53.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.615 HD13 ' C ' ' A' ' 107' ' ' LEU . 3.3 tm? -108.99 125.69 52.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.636 ' CB ' HG23 ' A' ' 18' ' ' THR . 37.0 mt-10 -105.02 152.7 22.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.915 HG23 ' HB2' ' A' ' 87' ' ' ALA . 36.7 t -134.56 120.55 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.142 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.435 ' O ' HG23 ' A' ' 21' ' ' VAL . 25.7 m170 -103.27 146.55 28.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.74 125.36 25.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.9 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.822 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.588 HD11 ' CD ' ' A' ' 32' ' ' LYS . 22.1 mm . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.796 0.331 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -101.88 148.1 25.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -125.38 128.41 24.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.558 0.694 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 106.93 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.348 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' GLY . 76.2 mm-40 -83.71 38.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' GLN . . . 37.08 -156.39 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.459 ' O ' HD22 ' A' ' 107' ' ' LEU . . . 173.43 -150.13 11.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.533 HG23 ' HB3' ' A' ' 108' ' ' GLU . 16.2 m -142.54 114.3 8.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.853 0.359 . . . . 0.0 111.119 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.9 p -113.52 141.88 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -73.59 153.26 40.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 110' ' ' HIS . 55.7 t -61.75 116.43 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.15 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.55 -6.62 61.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -85.53 -176.26 6.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.37 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -126.59 128.49 46.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.3 tt -127.13 157.61 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.8 m -137.94 138.79 39.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -110.55 140.19 45.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.9 mm -101.98 142.05 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -157.99 112.94 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 mtmm -112.09 153.17 27.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.791 HG21 HG21 ' A' ' 94' ' ' VAL . 60.3 t -137.73 136.93 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.588 ' CD ' HD11 ' A' ' 11' ' ' ILE . 3.3 tptm -76.35 119.82 20.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.14 145.12 44.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.45 ' O ' ' NH1' ' A' ' 71' ' ' ARG . 55.2 mt-10 -105.77 -39.46 6.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -100.27 152.35 20.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.522 HD21 ' HD3' ' A' ' 71' ' ' ARG . 1.7 mt -111.45 4.19 18.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.5 mt -89.04 -27.96 20.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.471 ' HD2' ' N ' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -103.79 178.52 4.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -148.59 121.56 4.57 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.56 0.695 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 120.53 7.3 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.379 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.8 m -79.92 138.65 37.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.433 ' O ' HG23 ' A' ' 42' ' ' ILE . 17.2 tt -128.2 124.0 61.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.488 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 1.6 tppt? -121.32 126.66 50.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -94.15 130.07 40.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.488 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 48.2 m-85 -125.5 146.4 49.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.872 ' HB2' HD21 ' A' ' 52' ' ' LEU . 25.2 tptp -122.29 148.95 44.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.85 -130.83 51.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.468 ' HD2' ' NE1' ' A' ' 49' ' ' TRP . 8.5 tmtm? -104.67 -55.8 2.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.757 0.313 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.468 ' NE1' ' HD2' ' A' ' 48' ' ' LYS . 12.7 m95 -103.1 -35.64 8.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.543 ' CE ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -41.97 127.31 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.44 ' OD2' ' CE1' ' A' ' 45' ' ' PHE . 56.9 t0 -121.66 109.79 15.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.872 HD21 ' HB2' ' A' ' 46' ' ' LYS . 14.4 mt -60.36 -35.14 74.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.467 ' CB ' ' HD2' ' A' ' 43' ' ' LYS . . . -44.69 -46.55 10.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.2 t -79.25 -32.29 43.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.4 -24.59 67.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.645 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -57.54 113.82 1.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.22 -79.16 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -117.62 -37.24 3.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 80' ' ' ILE . 76.7 m-70 -90.63 -7.36 52.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.645 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.4 tp -145.97 147.6 31.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.442 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 7.5 mm-40 -148.15 124.66 11.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.3 mt -93.0 150.89 20.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -128.92 153.27 47.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -152.77 132.89 13.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 74' ' ' THR . 7.3 t -148.52 153.29 38.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.571 ' CE1' ' CE1' ' A' ' 73' ' ' TYR . 41.5 t80 -123.77 145.93 48.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -130.15 91.73 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.48 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -61.31 -32.89 72.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -44.26 -39.73 4.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.437 ' O ' HG23 ' A' ' 72' ' ' VAL . 1.0 OUTLIER -121.72 6.44 9.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.816 -179.803 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.522 ' HD3' HD21 ' A' ' 36' ' ' LEU . 12.8 mtm180 52.95 50.88 16.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 70' ' ' SER . 78.5 t -140.17 129.99 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.571 ' CE1' ' CE1' ' A' ' 66' ' ' PHE . 48.2 m-85 -89.83 144.74 25.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.516 ' O ' HG22 ' A' ' 65' ' ' THR . 85.8 m -127.01 108.6 11.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -108.17 126.36 52.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -114.81 168.4 9.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.503 ' SD ' ' CG1' ' A' ' 79' ' ' ILE . 10.3 tmm? -141.25 105.27 4.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -86.52 138.18 31.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.603 HG12 HD12 ' A' ' 60' ' ' LEU . 2.3 mt -125.78 102.88 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.595 ' H ' HD12 ' A' ' 80' ' ' ILE . 0.9 OUTLIER -91.08 135.72 26.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 36.3 mttt 57.27 48.16 15.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.17 118.69 3.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.053 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -94.55 164.64 12.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.98 -29.85 31.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -68.23 -23.72 64.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.561 ' O ' HD12 ' A' ' 107' ' ' LEU . 2.7 m-85 -72.57 1.0 9.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.961 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -95.38 152.55 18.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.69 -133.71 6.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.445 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -116.01 130.4 56.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.886 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 6.8 m-85 -101.8 170.12 8.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -153.65 121.7 6.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 20.1 t -108.73 126.06 52.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -115.83 118.65 33.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.791 HG21 HG21 ' A' ' 31' ' ' VAL . 5.1 p -123.5 109.34 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.9 m -102.72 136.32 42.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.133 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 4.7 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.447 ' CE1' ' OG ' ' A' ' 102' ' ' SER . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -110.57 155.9 21.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.447 ' OG ' ' CE1' ' A' ' 100' ' ' PHE . 34.3 m -149.24 128.21 12.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.2 m -127.27 171.63 11.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 85.4 p -141.77 161.22 38.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 90' ' ' TYR . 2.3 p90 -146.12 -176.92 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -124.73 138.31 54.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 86' ' ' PHE . 2.9 tm? -126.0 129.27 48.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.533 ' HB3' HG23 ' A' ' 18' ' ' THR . 13.9 mt-10 -110.89 147.51 34.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.961 HG23 ' HB2' ' A' ' 87' ' ' ALA . 21.5 t -128.19 120.81 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.067 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.574 ' O ' HG23 ' A' ' 21' ' ' VAL . 25.5 m170 -103.13 153.18 20.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -73.28 125.3 27.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.9 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.769 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.55 HG23 ' N ' ' A' ' 12' ' ' GLU . 2.3 tp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.82 0.343 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.55 ' N ' HG23 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -95.96 146.03 24.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.468 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 33.7 mttt -120.5 108.28 37.79 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.711 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.405 ' HG3' ' HB2' ' A' ' 29' ' ' ALA . 53.8 Cg_endo -69.79 85.97 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.656 2.238 . . . . 0.0 112.362 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -68.5 105.77 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.47 156.42 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.468 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.497 ' O ' HD22 ' A' ' 107' ' ' LEU . . . -134.35 -141.02 4.39 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.441 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.477 HG23 ' HB3' ' A' ' 108' ' ' GLU . 9.9 m -139.65 115.53 10.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 111.117 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.6 p -116.46 142.29 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' CB ' ' OE1' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -74.38 153.68 39.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.4 t -62.38 119.87 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.48 -13.8 62.55 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.442 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.405 ' OE1' ' CB ' ' A' ' 20' ' ' LYS . 12.3 mt-10 -77.11 -177.33 4.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -129.44 117.59 20.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.3 tt -117.9 154.61 19.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.6 m -139.27 143.5 37.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -115.07 145.77 41.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.4 mm -107.26 132.17 55.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.405 ' HB2' ' HG3' ' A' ' 14' ' ' PRO . . . -152.2 113.28 4.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.07 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -113.06 154.39 26.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.803 HG21 HG21 ' A' ' 94' ' ' VAL . 94.7 t -123.99 141.46 44.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -75.89 117.65 17.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -120.25 151.99 38.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -120.36 -48.48 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.57 168.05 11.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.0 mt -111.58 -29.98 7.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.56 -37.75 76.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -91.06 152.3 20.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -142.68 115.7 6.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.539 ' HD2' ' CZ ' ' A' ' 73' ' ' TYR . 53.1 Cg_endo -69.84 166.06 28.98 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.319 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.2 m -135.95 134.99 39.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.424 ' O ' HG23 ' A' ' 42' ' ' ILE . 19.3 tt -111.12 127.3 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.461 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 7.3 tppt? -117.0 120.44 38.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.521 ' CE3' ' SD ' ' A' ' 77' ' ' MET . 29.2 m95 -90.25 129.46 36.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.461 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 48.5 m-85 -123.54 146.97 47.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.827 ' HB2' HD21 ' A' ' 52' ' ' LEU . 25.4 tptp -123.52 153.96 39.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.829 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.452 ' N ' ' HG3' ' A' ' 46' ' ' LYS . . . 62.67 -125.45 35.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -104.08 -52.87 2.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.713 0.292 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -134.33 36.89 3.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.597 ' CE ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -92.16 127.77 37.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.85 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 5.0 t0 -103.2 108.95 20.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.827 HD21 ' HB2' ' A' ' 46' ' ' LYS . 20.1 mt -72.57 -27.86 62.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -45.43 -57.92 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.49 -27.22 65.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.437 ' CE ' ' SD ' ' A' ' 50' ' ' MET . 35.9 mmtt -71.87 -29.67 64.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.576 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -59.3 109.72 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.489 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . -147.34 -73.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -117.23 -57.21 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' A' ' 80' ' ' ILE . 87.9 m-70 -65.49 -34.58 78.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.576 HD23 ' CA ' ' A' ' 56' ' ' ALA . 3.4 tp -119.17 146.22 45.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 23.6 mm-40 -148.74 125.65 11.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.1 mt -96.29 154.47 17.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.425 ' HE3' ' CD ' ' A' ' 76' ' ' GLU . 13.1 ttpp -130.23 147.88 52.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -152.5 131.19 12.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.486 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 11.4 t -147.94 166.33 28.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.14 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.406 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 68.6 t80 -136.95 145.8 44.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -127.95 101.46 6.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.468 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -63.82 -26.65 68.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -50.74 -39.24 51.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 t -119.71 -1.91 10.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.486 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 15.1 mtt85 59.67 45.42 13.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.715 HG13 ' O ' ' A' ' 31' ' ' VAL . 91.8 t -136.49 136.7 48.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.539 ' CZ ' ' HD2' ' A' ' 40' ' ' PRO . 51.0 m-85 -89.83 145.52 25.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.486 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 30.0 m -124.48 103.4 8.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -104.09 138.14 41.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.507 ' N ' ' OE1' ' A' ' 76' ' ' GLU . 15.5 mp0 -131.02 165.65 22.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.521 ' SD ' ' CE3' ' A' ' 44' ' ' TRP . 39.9 ttp -134.96 98.1 3.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -86.23 112.88 21.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.505 HG12 HD12 ' A' ' 60' ' ' LEU . 2.8 mt -105.89 111.27 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' ' 59' ' ' HIS . 1.9 mp -98.47 141.05 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.153 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.8 mttm 55.78 45.93 23.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.19 114.57 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -92.54 166.71 12.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.34 -23.67 38.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -73.84 -18.36 60.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -77.75 -15.39 59.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.011 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -82.9 138.24 33.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 152.62 -121.08 1.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -128.63 122.37 30.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 110.838 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.647 ' CB ' ' CE2' ' A' ' 105' ' ' PHE . 20.7 m-85 -97.63 168.75 10.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.1 ttt85 -149.14 157.08 43.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.41 ' O ' ' CD ' ' A' ' 93' ' ' GLU . 2.0 t -142.96 144.48 32.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 92' ' ' CYS . 17.1 mp0 -142.86 118.18 10.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.803 HG21 HG21 ' A' ' 31' ' ' VAL . 7.5 p -126.25 128.63 71.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.407 HG22 ' CD2' ' A' ' 100' ' ' PHE . 19.7 p -111.76 174.47 5.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.16 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 4.4 t80 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.905 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.407 ' CD2' HG22 ' A' ' 95' ' ' THR . 2.0 t80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.859 0.361 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -147.88 143.08 27.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.4 p -119.8 153.66 35.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 7.9 t -153.72 144.77 22.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 88.5 p -125.72 153.37 44.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.647 ' CE2' ' CB ' ' A' ' 90' ' ' TYR . 0.7 OUTLIER -139.66 -177.82 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.923 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -127.06 131.19 50.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.497 HD22 ' O ' ' A' ' 17' ' ' GLY . 2.1 tm? -117.0 130.39 56.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.477 ' HB3' HG23 ' A' ' 18' ' ' THR . 8.6 mt-10 -107.77 144.33 35.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 1.011 HG23 ' HB2' ' A' ' 87' ' ' ALA . 39.1 t -127.68 120.3 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.402 ' HB2' ' HD3' ' A' ' 20' ' ' LYS . 21.1 m170 -103.06 140.93 36.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -61.45 127.8 33.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.783 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.668 HD11 ' HD3' ' A' ' 32' ' ' LYS . 29.7 mm . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.847 0.356 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.6 147.38 33.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -126.96 133.55 25.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.554 0.692 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 111.55 2.85 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.315 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -90.57 30.31 1.17 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 42.55 -166.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.411 ' O ' HD22 ' A' ' 107' ' ' LEU . . . 178.6 -151.19 10.21 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.631 HG23 ' CB ' ' A' ' 108' ' ' GLU . 5.5 m -140.8 120.86 13.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 111.163 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.7 p -118.85 142.93 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.434 ' CB ' ' OE1' ' A' ' 23' ' ' GLU . 2.4 tppp? -74.28 154.25 39.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 110' ' ' HIS . 71.1 t -62.47 117.2 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.05 -4.98 61.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.465 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.434 ' OE1' ' CB ' ' A' ' 20' ' ' LYS . 25.9 mt-10 -86.89 175.92 7.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.866 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -120.56 124.26 44.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.7 tt -123.8 152.04 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.6 m -136.79 131.05 32.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -101.58 138.96 37.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.44 HD13 ' HG2' ' A' ' 76' ' ' GLU . 32.9 mm -97.87 146.07 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -158.07 113.38 2.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.468 ' HG3' HG23 ' A' ' 74' ' ' THR . 8.2 mtmt -112.84 154.95 25.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.611 ' O ' HG13 ' A' ' 72' ' ' VAL . 7.2 p -141.92 140.17 30.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.668 ' HD3' HD11 ' A' ' 11' ' ' ILE . 3.3 tptm -80.36 118.1 21.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -118.69 132.44 56.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -110.71 35.39 3.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -166.21 158.54 14.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.1 mt -116.78 -29.6 6.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.48 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 2.8 mp -59.46 -32.57 70.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -109.41 160.59 16.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.564 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 35.4 ttmt -140.22 126.95 12.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.579 0.704 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 128.35 15.9 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.708 2.272 . . . . 0.0 112.289 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.4 m -92.29 130.16 38.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.546 HD11 ' SG ' ' A' ' 92' ' ' CYS . 6.2 tt -105.83 150.84 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.142 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.571 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 2.6 tppp? -144.79 116.62 8.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -88.88 141.82 28.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.571 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 66.0 m-85 -135.93 176.5 8.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.498 ' HG3' ' N ' ' A' ' 47' ' ' GLY . 13.2 tttm -166.09 152.56 9.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.498 ' N ' ' HG3' ' A' ' 46' ' ' LYS . . . 68.96 -130.51 24.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.479 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.434 ' HG2' ' NE1' ' A' ' 49' ' ' TRP . 1.2 ttmp? -104.36 -55.26 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.741 0.305 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.434 ' NE1' ' HG2' ' A' ' 48' ' ' LYS . 11.2 m95 -132.87 39.13 3.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.568 ' CE ' HD23 ' A' ' 52' ' ' LEU . 6.4 ttp -100.41 124.5 46.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.855 ' OD1' ' HB3' ' A' ' 53' ' ' ALA . 7.2 t70 -103.39 101.14 11.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.568 HD23 ' CE ' ' A' ' 50' ' ' MET . 65.0 mt -59.53 -28.99 67.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.855 ' HB3' ' OD1' ' A' ' 51' ' ' ASP . . . -49.18 -57.31 6.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.81 -22.97 63.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -71.47 -32.86 68.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.677 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -54.85 117.19 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.49 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . -151.81 -73.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.452 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -120.26 -54.65 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.479 ' O ' ' N ' ' A' ' 80' ' ' ILE . 97.6 m-70 -69.98 -31.21 68.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.828 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.677 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.8 tp -117.46 144.23 45.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 44.9 mm-40 -149.01 122.51 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.632 HD23 ' HG2' ' A' ' 77' ' ' MET . 13.3 mt -91.49 163.19 14.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.14 149.95 47.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.402 ' C ' ' OE2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -148.77 132.43 16.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 74' ' ' THR . 5.7 t -148.16 158.67 44.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.45 ' HB2' ' CD2' ' A' ' 73' ' ' TYR . 31.8 t80 -129.45 152.82 48.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 71' ' ' ARG . 39.9 mt-10 -130.1 92.72 3.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.462 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -62.37 -41.22 98.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -51.64 -24.53 5.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.4 t -124.23 -5.84 7.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 67' ' ' GLU . 13.9 mtt180 55.89 50.74 13.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.611 HG13 ' O ' ' A' ' 31' ' ' VAL . 72.4 t -142.14 128.97 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.564 ' CE2' ' HG3' ' A' ' 39' ' ' LYS . 65.1 m-85 -90.24 135.56 33.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.468 HG23 ' HG3' ' A' ' 30' ' ' LYS . 28.0 m -122.68 115.59 22.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.405 ' HB2' HD13 ' A' ' 42' ' ' ILE . 29.6 m-85 -113.53 128.58 56.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.44 ' HG2' HD13 ' A' ' 28' ' ' ILE . 4.3 mt-10 -115.74 167.38 10.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.632 ' HG2' HD23 ' A' ' 62' ' ' LEU . 10.4 tmm? -138.3 105.26 5.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -88.3 138.3 31.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.567 HG12 HD12 ' A' ' 60' ' ' LEU . 2.6 mt -127.07 104.1 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.625 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.1 mp -92.28 133.81 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 43.1 mttt 62.0 47.23 5.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.17 109.87 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.068 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -87.65 169.65 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -17.85 35.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -78.04 -16.7 57.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.51 ' O ' HD12 ' A' ' 107' ' ' LEU . 3.9 m-85 -79.63 -4.73 52.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.03 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -93.62 111.09 22.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -178.92 -126.08 0.98 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.51 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -121.62 126.58 49.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.358 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.578 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 12.3 m-85 -111.11 136.47 50.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -129.1 127.48 41.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.546 ' SG ' HD11 ' A' ' 42' ' ' ILE . 8.4 t -111.95 147.5 35.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -141.42 125.57 17.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 94' ' ' VAL . 3.8 p -130.64 107.42 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.515 HG23 ' HB2' ' A' ' 100' ' ' PHE . 1.3 m -97.7 107.37 19.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 11.1 t80 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.912 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.515 ' HB2' HG23 ' A' ' 95' ' ' THR . 6.3 t80 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.831 0.348 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -123.91 153.77 40.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.6 p -138.88 158.36 44.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 28.4 p -164.02 143.44 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 t -125.08 160.36 29.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 90' ' ' TYR . 22.9 p90 -153.68 169.95 22.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.841 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -116.86 130.15 56.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.516 HD13 ' C ' ' A' ' 107' ' ' LEU . 3.4 tm? -109.54 127.26 54.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.631 ' CB ' HG23 ' A' ' 18' ' ' THR . 23.9 mt-10 -106.01 146.96 29.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 1.03 HG23 ' HB2' ' A' ' 87' ' ' ALA . 30.2 t -129.39 119.91 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.407 ' O ' HG23 ' A' ' 21' ' ' VAL . 20.8 m170 -103.11 143.75 32.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -64.5 125.57 25.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.773 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 tp . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.746 0.308 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -104.55 152.62 22.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -134.57 124.13 16.77 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.576 0.703 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 102.94 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.668 2.245 . . . . 0.0 112.327 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -82.91 108.0 15.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.77 170.21 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.467 ' O ' HD22 ' A' ' 107' ' ' LEU . . . -157.56 -154.91 7.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.735 HG23 ' CB ' ' A' ' 108' ' ' GLU . 3.8 m -136.39 117.15 14.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.823 0.344 . . . . 0.0 111.182 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 p -112.58 140.21 33.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.432 ' HB3' ' CD ' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -73.74 153.59 39.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.1 t -61.14 123.0 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.78 -17.17 59.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 2.5 mp0 -78.16 -177.08 4.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.12 140.16 51.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.4 tt -131.89 156.78 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 m -139.66 124.86 18.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -100.79 142.62 32.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.479 HD13 ' HG2' ' A' ' 76' ' ' GLU . 31.0 mm -99.55 126.99 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.13 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.93 111.11 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 ptpp? -132.18 139.92 48.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.911 HG21 HG11 ' A' ' 94' ' ' VAL . 25.5 t -109.48 148.92 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -76.1 123.57 26.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -124.7 159.82 29.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -125.4 -44.78 1.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.06 170.83 10.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.3 mt -110.14 -35.61 6.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.428 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.8 mm? -59.53 -38.19 80.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.7 mmt-85 -90.19 125.89 35.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.407 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 4.3 ttpm? -118.3 110.94 38.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.566 0.698 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 39' ' ' LYS . 53.9 Cg_endo -69.73 108.81 2.16 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.731 2.287 . . . . 0.0 112.341 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.3 m -85.2 143.7 28.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.0 tt -113.61 132.98 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.069 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.597 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 1.5 tppp? -116.62 124.82 50.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.502 ' CE3' ' SD ' ' A' ' 77' ' ' MET . 27.9 m95 -95.42 122.83 38.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.597 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 64.0 m-85 -119.44 162.53 18.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.532 ' CB ' HD21 ' A' ' 52' ' ' LEU . 16.8 tttm -149.28 152.01 35.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.475 ' N ' ' HG3' ' A' ' 46' ' ' LYS . . . 71.24 -132.41 21.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.5 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.5 tttt -104.3 -44.81 4.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.706 0.289 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -127.05 -29.28 2.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.3 ttp -42.28 132.1 3.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.934 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.595 ' OD1' ' CE1' ' A' ' 45' ' ' PHE . 29.6 t0 -117.33 105.47 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.532 HD21 ' CB ' ' A' ' 46' ' ' LYS . 33.2 mt -48.95 -42.92 39.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -42.03 -40.49 2.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.5 t -75.89 -32.76 59.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 52' ' ' LEU . 74.0 mmtt -69.45 -33.13 72.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.678 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -54.15 108.19 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -154.06 -54.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.46 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -133.04 -60.98 0.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.783 0.325 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -67.63 -29.29 68.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.678 HD23 ' CA ' ' A' ' 56' ' ' ALA . 3.8 tp -119.75 144.69 47.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.414 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 36.0 mm-40 -148.92 125.02 10.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.3 mt -91.67 165.2 13.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.17 145.79 41.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -152.44 127.67 9.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 74' ' ' THR . 11.1 t -139.85 167.16 22.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.56 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 73.9 t80 -134.23 144.14 48.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -128.68 93.0 3.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.422 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -51.0 -35.32 33.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.912 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -39.31 -59.78 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 60.6 p -102.96 -6.57 22.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 65.64 47.4 2.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.629 HG13 ' O ' ' A' ' 31' ' ' VAL . 94.9 t -134.21 132.63 55.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.56 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 26.4 m-85 -89.49 121.62 31.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.949 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.538 ' O ' HG22 ' A' ' 65' ' ' THR . 41.6 m -99.64 106.55 18.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.174 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.505 ' CZ ' ' HB3' ' A' ' 73' ' ' TYR . 6.4 m-85 -103.73 147.79 26.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.479 ' HG2' HD13 ' A' ' 28' ' ' ILE . 24.5 mt-10 -140.27 169.29 17.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.502 ' SD ' ' CE3' ' A' ' 44' ' ' TRP . 37.9 ttp -134.81 101.79 5.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -90.01 112.12 23.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.494 HG12 HD12 ' A' ' 60' ' ' LEU . 2.3 mt -104.48 115.19 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.9 mp -100.41 132.97 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.1 mttm 64.28 46.79 3.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.57 101.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.454 ' HB2' ' ND2' ' A' ' 85' ' ' ASN . 36.3 mttt -81.78 167.82 18.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.21 -23.46 47.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.454 ' ND2' ' HB2' ' A' ' 83' ' ' LYS . 0.5 OUTLIER -72.36 -21.2 61.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -73.97 -15.89 61.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.979 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -81.13 117.25 21.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 169.31 -140.54 6.18 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -101.82 143.91 31.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.586 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 24.0 m-85 -128.74 144.08 51.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -127.74 150.45 49.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 10.5 m -129.69 132.85 46.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -128.75 121.4 28.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.911 HG11 HG21 ' A' ' 31' ' ' VAL . 91.4 t -129.74 131.95 66.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -131.13 99.42 4.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 8.1 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.9 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.487 ' CD2' ' O ' ' A' ' 94' ' ' VAL . 2.8 t80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.89 144.5 51.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 68.3 p -131.95 126.78 34.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 25.1 t -133.61 134.84 43.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 78.1 p -115.45 135.9 53.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.586 ' CZ ' ' HB3' ' A' ' 90' ' ' TYR . 3.6 p90 -119.37 -174.82 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -126.6 128.53 46.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.467 HD22 ' O ' ' A' ' 17' ' ' GLY . 1.8 tm? -115.54 124.01 49.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.735 ' CB ' HG23 ' A' ' 18' ' ' THR . 20.4 mt-10 -105.17 148.82 26.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.979 HG23 ' HB2' ' A' ' 87' ' ' ALA . 39.1 t -131.18 116.9 34.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -102.86 145.1 30.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -61.99 128.37 35.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.79 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.2 mm . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.759 0.314 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.79 160.15 14.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -127.9 142.2 43.58 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.561 0.696 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 110.81 2.64 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -90.4 110.93 22.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.93 169.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.605 ' O ' HD22 ' A' ' 107' ' ' LEU . . . -158.71 -157.92 8.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.601 HG23 ' CB ' ' A' ' 108' ' ' GLU . 8.3 m -135.58 112.76 10.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 111.144 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.9 p -108.7 140.43 27.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.6 153.93 39.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.44 117.73 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.135 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.8 -14.2 63.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.524 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -76.58 -175.41 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -132.5 119.92 21.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.5 tt -117.76 154.0 19.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 m -137.66 137.36 38.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -106.95 152.08 24.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.0 mm -115.95 140.46 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -156.77 113.46 3.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -104.82 164.47 11.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.478 ' CG1' ' HB2' ' A' ' 73' ' ' TYR . 14.7 p -151.27 135.98 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.154 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -77.05 125.88 30.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -123.16 164.51 18.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.428 ' O ' ' NH1' ' A' ' 71' ' ' ARG . 47.4 mt-10 -129.56 -43.24 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -93.42 150.65 20.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.0 mt -97.77 -40.19 8.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.498 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.1 mm? -53.38 -44.26 68.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -92.0 148.61 22.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -140.17 126.01 11.72 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.618 0.723 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 130.91 20.24 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.694 2.263 . . . . 0.0 112.346 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.1 m -96.16 141.64 29.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.775 HD11 ' SG ' ' A' ' 92' ' ' CYS . 6.8 tt -111.66 134.82 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.599 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 2.4 tppp? -125.68 116.32 21.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.47 ' HB3' HD12 ' A' ' 52' ' ' LEU . 46.8 m95 -89.93 120.11 30.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.599 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 61.6 m-85 -111.31 151.53 28.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.934 ' HB2' HD21 ' A' ' 52' ' ' LEU . 22.5 tptm -129.3 157.55 41.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.409 ' N ' ' HG3' ' A' ' 46' ' ' LYS . . . 58.88 -127.26 44.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.537 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -99.07 -57.52 2.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -131.31 34.35 4.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.625 ' CE ' HD23 ' A' ' 52' ' ' LEU . 1.2 tmm? -87.86 132.39 34.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.521 ' OD1' ' HB3' ' A' ' 53' ' ' ALA . 4.7 t0 -107.07 107.06 17.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.934 HD21 ' HB2' ' A' ' 46' ' ' LYS . 28.6 mt -69.16 -27.7 65.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.521 ' HB3' ' OD1' ' A' ' 51' ' ' ASP . . . -47.67 -56.46 7.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.9 p -69.33 -24.32 63.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -74.23 -32.65 63.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.68 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -56.41 113.82 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.486 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . -153.06 -66.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.507 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -124.22 -60.28 1.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.33 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.4 ' O ' ' O ' ' A' ' 80' ' ' ILE . 96.7 m-70 -66.04 -20.47 66.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.68 HD23 ' CA ' ' A' ' 56' ' ' ALA . 3.7 tp -131.8 145.52 51.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 48.7 mm-40 -149.76 125.15 10.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.6 mt -91.37 164.49 13.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -139.5 145.88 39.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -152.37 128.39 10.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.472 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 14.0 t -138.46 167.26 22.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.613 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 43.0 t80 -135.0 147.64 49.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -128.07 97.32 4.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -22.86 66.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -53.59 -44.68 69.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.7 m -119.54 2.4 11.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.531 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 13.6 mtm180 61.72 34.18 17.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 69.5 t -119.48 132.26 69.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.613 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 67.6 m-85 -91.69 155.54 18.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.472 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 14.7 m -137.06 114.5 10.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -109.9 148.12 32.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -141.66 166.0 25.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 49.6 ttp -135.02 101.4 4.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -87.39 110.27 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.497 HG12 HD12 ' A' ' 60' ' ' LEU . 2.4 mt -103.19 112.21 35.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.492 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.9 mp -96.88 146.46 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.9 mttm 48.07 48.79 18.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.51 110.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.071 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -88.81 167.56 13.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.7 -20.21 20.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.901 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -76.02 -19.84 58.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -75.88 -14.16 60.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.979 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -82.9 114.23 21.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -179.12 -142.84 5.1 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -109.97 117.75 34.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.357 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 20.3 m-85 -98.16 156.91 16.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -142.95 121.21 12.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.775 ' SG ' HD11 ' A' ' 42' ' ' ILE . 1.9 t -101.87 133.52 46.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -134.45 118.08 16.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 99.6 t -126.57 104.21 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.947 HG23 ' HB2' ' A' ' 100' ' ' PHE . 18.1 m -99.05 121.6 41.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.169 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.6 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.884 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.947 ' HB2' HG23 ' A' ' 95' ' ' THR . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.897 0.38 . . . . 0.0 110.864 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -120.83 157.17 30.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 80.0 p -146.27 152.2 38.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 20.6 p -162.99 134.72 5.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 94.6 p -112.24 157.87 20.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 90' ' ' TYR . 10.6 p90 -143.15 -176.6 4.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -126.17 137.18 53.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.605 HD22 ' O ' ' A' ' 17' ' ' GLY . 2.6 tm? -122.25 130.25 53.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.601 ' CB ' HG23 ' A' ' 18' ' ' THR . 4.1 mp0 -110.54 149.78 29.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.979 HG23 ' HB2' ' A' ' 87' ' ' ALA . 38.9 t -131.13 117.56 37.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.101 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -102.98 143.29 32.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -62.59 129.11 39.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.819 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 12' ' ' GLU . 6.9 tt . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.807 0.336 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.425 ' N ' HG23 ' A' ' 11' ' ' ILE . 5.0 tp10 -106.63 135.58 47.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -122.4 127.27 25.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.577 0.703 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 104.27 1.29 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.704 2.269 . . . . 0.0 112.377 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -80.68 43.94 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 42.96 -166.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.91 -160.58 22.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.508 HG23 ' HB3' ' A' ' 108' ' ' GLU . 5.1 m -139.12 111.87 7.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.804 0.335 . . . . 0.0 111.126 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.8 p -114.05 140.86 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.43 ' HB3' ' CD ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -74.11 153.34 39.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.34 117.49 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.52 -3.44 63.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.43 ' CD ' ' HB3' ' A' ' 20' ' ' LYS . 52.8 mt-10 -89.1 -179.32 5.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.832 0.349 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -124.76 124.63 42.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.7 tt -123.18 151.73 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 m -139.22 130.21 26.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -98.76 154.18 18.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.485 ' CG2' ' HE2' ' A' ' 30' ' ' LYS . 41.6 mm -114.94 137.39 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.44 ' C ' ' HD3' ' A' ' 30' ' ' LYS . . . -149.0 131.93 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.722 ' HD2' HG23 ' A' ' 74' ' ' THR . 0.0 OUTLIER -116.52 160.11 21.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.551 HG21 ' HE2' ' A' ' 75' ' ' PHE . 13.8 t -143.41 126.8 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -75.78 113.97 13.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -118.77 158.73 25.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -117.96 -39.76 3.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -98.02 123.7 42.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.1 mt -62.04 -42.79 99.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.89 -55.28 36.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -63.65 133.73 54.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.432 ' NZ ' ' OE2' ' A' ' 64' ' ' GLU . 9.6 ttpp -131.58 116.34 16.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.548 0.689 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.429 ' HD3' ' CE1' ' A' ' 96' ' ' TYR . 53.7 Cg_endo -69.7 134.11 27.3 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.6 m -96.86 138.15 34.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.3 tt -112.91 133.83 57.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.067 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.59 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 2.6 tppp? -122.12 118.87 29.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.423 ' HB3' HD12 ' A' ' 52' ' ' LEU . 31.5 m95 -87.98 130.86 34.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.59 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 56.2 m-85 -126.32 164.32 21.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.662 ' HB2' HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -143.64 147.57 34.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.456 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 62.93 -130.76 42.57 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.497 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.532 ' HD3' ' CE2' ' A' ' 49' ' ' TRP . 26.2 tttt -104.33 -49.09 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.755 0.312 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.532 ' CE2' ' HD3' ' A' ' 48' ' ' LYS . 4.9 m95 -116.53 -35.28 4.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.976 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.3 ttp -42.32 120.63 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.55 ' OD2' ' HB3' ' A' ' 53' ' ' ALA . 25.1 t70 -111.35 122.0 46.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.662 HD21 ' HB2' ' A' ' 46' ' ' LYS . 22.6 mt -69.13 -39.61 78.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.55 ' HB3' ' OD2' ' A' ' 51' ' ' ASP . . . -41.65 -37.8 1.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.051 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.5 t -82.37 -27.68 31.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 52' ' ' LEU . 31.7 mmtm -69.23 -26.96 65.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.713 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -59.96 110.46 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.89 -66.29 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -125.92 -50.81 1.58 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 80' ' ' ILE . 95.1 m-70 -80.04 -14.54 58.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.713 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.3 tp -136.57 144.18 44.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.4 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 34.9 mm-40 -148.33 124.37 10.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.942 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.7 mt -89.8 165.69 14.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -140.92 150.51 43.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.432 ' OE2' ' NZ ' ' A' ' 39' ' ' LYS . 7.7 tt0 -152.42 131.64 12.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.474 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 14.5 t -141.9 161.68 37.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.708 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 53.7 t80 -123.25 146.34 47.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -130.12 94.9 3.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.474 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -62.77 -30.51 71.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.855 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -42.8 -47.28 5.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 t -119.37 2.99 11.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.498 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 13.0 mtt85 62.71 33.45 15.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 31' ' ' VAL . 53.7 t -116.59 134.02 61.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.708 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 58.2 m-85 -94.2 134.75 36.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.722 HG23 ' HD2' ' A' ' 30' ' ' LYS . 5.0 m -114.62 123.24 48.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.551 ' HE2' HG21 ' A' ' 31' ' ' VAL . 8.2 m-85 -120.82 125.08 46.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.449 ' HG2' HD13 ' A' ' 28' ' ' ILE . 5.1 mt-10 -113.12 167.42 10.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 42.1 ttp -136.2 103.11 5.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.848 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.03 127.67 34.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.512 HG12 HD12 ' A' ' 60' ' ' LEU . 2.1 mt -119.28 105.58 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.652 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.1 mp -91.05 139.7 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.5 mttp 53.44 46.44 26.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.64 117.11 2.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -90.83 161.28 15.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.66 -11.63 3.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -86.87 -17.41 33.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -74.24 -17.92 60.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.119 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -81.94 108.66 15.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -170.56 -139.64 2.8 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -104.13 114.26 28.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 110.85 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.58 ' CB ' ' CE2' ' A' ' 105' ' ' PHE . 3.0 m-85 -102.92 136.71 42.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -128.65 125.88 39.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.446 ' C ' ' OE1' ' A' ' 93' ' ' GLU . 27.7 p -106.63 149.75 26.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.446 ' OE1' ' C ' ' A' ' 92' ' ' CYS . 33.7 mp0 -144.73 123.62 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.3 t -123.16 104.03 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.42 127.15 38.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.429 ' CE1' ' HD3' ' A' ' 40' ' ' PRO . 3.7 t80 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.443 ' CZ ' ' HB3' ' A' ' 102' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.815 0.341 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -142.5 151.15 41.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 84.1 p -147.46 171.65 15.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 2.4 t -154.96 171.13 20.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 94.8 p -138.91 147.67 42.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.58 ' CE2' ' CB ' ' A' ' 90' ' ' TYR . 1.3 p90 -153.85 -176.97 6.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -135.41 140.4 44.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.715 HD23 ' H ' ' A' ' 108' ' ' GLU . 1.2 tt -112.36 142.12 45.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.715 ' H ' HD23 ' A' ' 107' ' ' LEU . 26.1 mt-10 -119.77 145.87 46.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 1.119 HG23 ' HB2' ' A' ' 87' ' ' ALA . 60.3 t -131.96 121.65 47.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -103.09 144.66 31.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -65.05 129.22 38.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 38.1 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.778 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.451 HD13 ' HB2' ' A' ' 32' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.818 0.342 . . . . 0.0 111.152 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.443 ' N ' HG22 ' A' ' 11' ' ' ILE . 9.0 tm-20 -93.91 147.28 23.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -133.73 120.76 15.67 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.628 0.727 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 112.4 3.08 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.686 2.257 . . . . 0.0 112.316 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 16' ' ' GLY . 50.2 mm-40 -86.25 35.02 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 15' ' ' GLN . . . 34.93 -153.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.459 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.523 ' O ' HD22 ' A' ' 107' ' ' LEU . . . 171.27 -155.44 24.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.691 HG23 ' CB ' ' A' ' 108' ' ' GLU . 6.5 m -137.96 114.49 10.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.82 0.343 . . . . 0.0 111.149 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.5 p -111.41 142.37 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.51 154.49 38.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 110' ' ' HIS . 52.7 t -61.74 117.22 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.58 -11.03 63.03 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.49 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -79.2 -176.49 5.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -131.44 122.1 25.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.5 tt -124.88 152.62 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.2 m -135.6 132.79 37.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.522 ' CE1' ' HE3' ' A' ' 77' ' ' MET . 25.8 m-85 -99.91 152.47 20.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.5 mm -110.01 135.57 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -154.45 112.66 3.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -113.1 159.99 18.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.411 HG11 ' CG ' ' A' ' 40' ' ' PRO . 4.9 p -139.75 144.83 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HB2' HD13 ' A' ' 11' ' ' ILE . 2.5 tptt -75.83 124.77 27.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -129.44 136.92 50.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.09 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -105.1 -42.56 5.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.22 160.99 14.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.507 HD22 ' CZ ' ' A' ' 66' ' ' PHE . 23.7 mt -101.37 -40.07 7.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.481 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.3 mm? -54.09 -40.77 67.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -86.75 144.73 26.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.506 ' HG2' ' CE2' ' A' ' 73' ' ' TYR . 14.9 mtmm -137.06 120.56 11.9 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.584 0.707 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.411 ' CG ' HG11 ' A' ' 31' ' ' VAL . 54.0 Cg_endo -69.75 120.83 7.55 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.673 2.248 . . . . 0.0 112.382 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.6 m -82.67 139.1 33.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.617 HD11 ' SG ' ' A' ' 92' ' ' CYS . 10.4 tt -121.97 123.09 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.469 ' HG2' ' CE1' ' A' ' 45' ' ' PHE . 4.3 tppt? -119.4 116.71 26.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.421 ' HB3' HD12 ' A' ' 52' ' ' LEU . 30.7 m95 -85.54 136.61 33.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.485 ' CE2' ' OD1' ' A' ' 51' ' ' ASP . 57.1 m-85 -130.86 162.66 29.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.647 ' HB2' HD21 ' A' ' 52' ' ' LEU . 9.6 tmtt? -144.87 147.91 33.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.452 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 65.19 -136.71 37.5 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.523 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.462 ' HD2' ' NE1' ' A' ' 49' ' ' TRP . 8.1 tmtm? -100.97 -52.94 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.462 ' NE1' ' HD2' ' A' ' 48' ' ' LYS . 14.9 m95 -110.84 -35.13 6.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.953 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.9 ttp -43.08 118.92 1.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.485 ' OD1' ' CE2' ' A' ' 45' ' ' PHE . 21.1 t0 -110.28 111.62 23.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.647 HD21 ' HB2' ' A' ' 46' ' ' LYS . 40.3 mt -57.19 -43.7 82.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.457 ' CB ' ' HD2' ' A' ' 43' ' ' LYS . . . -41.88 -38.29 1.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.6 t -81.15 -32.35 33.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' LEU . 35.1 mmtt -65.61 -30.55 71.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.748 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -55.82 113.68 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.088 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.51 -60.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -128.99 -56.63 1.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.835 0.35 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 80' ' ' ILE . 97.8 m-70 -74.25 -20.56 60.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.748 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.4 tp -129.01 145.2 51.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.409 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 12.8 mm-40 -148.2 124.21 10.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.9 mt -91.46 153.73 19.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -127.6 148.67 50.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -152.04 133.85 14.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.472 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 11.7 t -147.31 165.97 28.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.172 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.6 ' CD1' ' CE1' ' A' ' 73' ' ' TYR . 41.1 t80 -128.72 147.06 50.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -129.91 90.95 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -23.72 52.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -46.03 -45.27 15.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 82.7 p -126.57 4.86 6.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 32.3 mtt-85 63.51 38.98 9.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 63.7 t -123.78 130.82 73.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.6 ' CE1' ' CD1' ' A' ' 66' ' ' PHE . 6.3 m-85 -89.59 152.1 21.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.472 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 50.1 m -127.98 105.81 8.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -104.08 129.67 51.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -123.51 167.28 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.522 ' HE3' ' CE1' ' A' ' 27' ' ' PHE . 50.9 ttp -135.03 97.88 3.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -84.32 113.04 20.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.502 HG12 HD12 ' A' ' 60' ' ' LEU . 2.4 mt -103.75 114.56 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.405 ' O ' ' O ' ' A' ' 59' ' ' HIS . 2.2 mp -99.53 140.29 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.6 mttt 54.43 47.73 22.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.3 108.98 0.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -89.27 169.01 11.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.85 -19.73 19.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -75.27 -17.86 60.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -80.79 -10.02 59.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.966 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -86.19 121.59 28.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 166.1 -140.44 6.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -105.76 133.47 50.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.857 0.36 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.583 ' CB ' ' CE2' ' A' ' 105' ' ' PHE . 8.9 m-85 -112.77 147.28 37.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 47.4 ttm-85 -139.86 123.88 17.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.617 ' SG ' HD11 ' A' ' 42' ' ' ILE . 1.8 t -104.01 146.48 28.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -131.89 122.17 25.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.457 ' O ' ' CD2' ' A' ' 100' ' ' PHE . 58.5 t -130.49 122.4 52.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 m -114.54 143.78 44.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 7.8 t80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.954 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.457 ' CD2' ' O ' ' A' ' 94' ' ' VAL . 7.3 t80 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.849 0.357 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -156.21 143.57 19.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 91.3 p -136.44 124.62 23.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.834 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 46.1 t -107.93 136.54 47.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 62.2 p -111.12 129.24 55.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.583 ' CE2' ' CB ' ' A' ' 90' ' ' TYR . 1.5 p90 -131.41 167.29 19.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -119.2 122.94 43.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.523 HD22 ' O ' ' A' ' 17' ' ' GLY . 3.0 tm? -103.83 129.91 51.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.691 ' CB ' HG23 ' A' ' 18' ' ' THR . 28.5 mt-10 -107.92 147.22 31.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.966 HG23 ' HB2' ' A' ' 87' ' ' ALA . 38.7 t -128.44 117.4 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.404 ' O ' HG23 ' A' ' 21' ' ' VAL . 22.4 m170 -102.96 144.29 31.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -66.61 125.08 24.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.829 -179.752 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 p -96.14 52.23 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.883 0.373 . . . . 0.0 110.867 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -119.51 111.99 18.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.03 125.84 6.71 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.527 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.7 m -144.88 148.5 34.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.89 0.376 . . . . 0.0 110.849 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 7' ' ' GLY . 2.9 t -152.16 109.53 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 36.2 61.41 0.81 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.1 pt -68.32 156.69 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 11' ' ' ILE . 4.9 tp -86.43 -49.88 7.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.493 ' CE2' ' SG ' ' A' ' 103' ' ' CYS . 0.7 OUTLIER -59.76 83.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.916 HD11 ' HD2' ' A' ' 32' ' ' LYS . 74.4 mt -33.28 -75.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.38 159.19 15.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -131.31 145.09 56.15 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.536 0.684 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 94.72 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.388 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -70.77 104.71 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.7 164.26 0.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.438 ' O ' HD22 ' A' ' 107' ' ' LEU . . . -155.78 -152.68 6.29 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.477 HG23 ' CB ' ' A' ' 108' ' ' GLU . 19.3 m -138.59 114.97 10.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.362 . . . . 0.0 111.177 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.5 p -111.69 142.14 25.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -74.23 156.58 37.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 110' ' ' HIS . 54.1 t -63.69 117.28 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.56 -10.18 62.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.527 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -80.75 -179.09 7.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -129.13 120.51 25.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.3 tt -121.36 151.69 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.4 m -132.8 144.34 50.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -112.49 157.49 21.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.5 mm -117.45 138.69 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.486 ' HB1' ' CZ ' ' A' ' 10' ' ' PHE . . . -156.13 113.82 3.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -113.64 158.04 21.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.6 ' O ' HG13 ' A' ' 72' ' ' VAL . 12.8 p -138.63 141.54 36.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.916 ' HD2' HD11 ' A' ' 11' ' ' ILE . 3.4 tptm -76.02 117.24 17.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -115.65 150.12 37.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -118.53 -41.93 2.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -92.77 160.78 14.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.458 HD22 ' HZ ' ' A' ' 66' ' ' PHE . 24.2 mt -109.82 -38.56 5.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.432 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.8 mm? -55.83 -36.15 67.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? -98.36 150.57 21.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -138.65 126.27 13.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.552 0.691 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 147.68 63.28 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.652 2.235 . . . . 0.0 112.36 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.3 m -112.24 137.36 50.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.3 tt -113.01 138.04 43.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -127.68 117.62 22.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.429 ' CE3' ' SD ' ' A' ' 77' ' ' MET . 54.8 m95 -89.6 136.56 32.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.489 ' CE1' ' CG ' ' A' ' 51' ' ' ASP . 65.8 m-85 -129.78 172.04 12.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.56 ' HD3' ' CE1' ' A' ' 90' ' ' TYR . 26.1 tptp -156.82 146.41 20.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.26 -132.93 30.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.576 ' HB3' ' CD1' ' A' ' 49' ' ' TRP . 1.1 tmtp? -104.3 -50.09 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.75 0.309 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.576 ' CD1' ' HB3' ' A' ' 48' ' ' LYS . 4.2 m95 -114.26 -35.65 4.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.561 ' CE ' HD23 ' A' ' 52' ' ' LEU . 3.3 ttp -42.49 116.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.507 ' OD2' ' HB3' ' A' ' 53' ' ' ALA . 26.3 t0 -109.48 101.73 10.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.561 HD23 ' CE ' ' A' ' 50' ' ' MET . 64.0 mt -47.89 -34.42 8.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.507 ' HB3' ' OD2' ' A' ' 51' ' ' ASP . . . -44.47 -52.55 7.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.061 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.64 -19.68 55.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -76.79 -23.43 52.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.603 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -63.29 111.44 2.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.71 -52.23 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -129.33 -75.53 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -61.42 -17.04 52.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.603 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.6 tp -134.17 144.94 48.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -149.69 123.6 9.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.1 mt -91.03 163.76 14.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -140.32 151.18 44.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -151.76 134.39 15.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.7 t -145.71 146.68 31.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.537 ' CD1' ' CE2' ' A' ' 73' ' ' TYR . 32.3 t80 -114.2 146.82 39.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -129.32 90.86 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -22.58 62.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -53.92 -39.58 65.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 72' ' ' VAL . 5.5 t -124.42 4.35 8.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.658 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 20.5 mtt180 57.97 39.92 26.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.844 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 31' ' ' VAL . 91.4 t -128.98 133.18 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.537 ' CE2' ' CD1' ' A' ' 66' ' ' PHE . 90.6 m-85 -92.84 153.91 18.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 85.9 m -135.66 106.3 6.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -102.12 134.52 45.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -121.73 165.53 15.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.429 ' SD ' ' CE3' ' A' ' 44' ' ' TRP . 46.3 ttp -135.01 100.32 4.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -87.51 112.73 22.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.542 HG12 HD12 ' A' ' 60' ' ' LEU . 2.8 mt -103.93 110.13 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.593 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.4 mp -95.27 146.66 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.0 mttm 47.27 51.28 13.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.23 110.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -88.48 165.4 14.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.38 -12.65 2.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -83.48 -20.74 33.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.408 ' CE2' HG23 ' A' ' 79' ' ' ILE . 6.5 m-85 -72.84 -14.63 61.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.977 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -76.31 147.0 38.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 143.15 -139.39 8.9 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -114.81 126.31 54.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.56 ' CE1' ' HD3' ' A' ' 46' ' ' LYS . 8.7 m-85 -98.93 169.99 9.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -152.11 152.87 32.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 56.5 m -136.04 132.63 36.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -128.79 118.12 22.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.2 t -126.67 107.28 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -100.71 101.88 12.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -100.9 155.02 18.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -50.31 -53.22 30.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.53 -74.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -138.08 168.52 19.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -115.25 144.69 43.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -140.83 147.67 39.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 60.7 p -139.86 142.45 36.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.493 ' SG ' ' CE2' ' A' ' 10' ' ' PHE . 1.5 p -144.15 147.43 33.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 46.5 p -129.77 146.52 51.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.519 ' CZ ' ' CB ' ' A' ' 90' ' ' TYR . 47.2 p90 -132.86 -175.22 3.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -124.25 138.38 54.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.636 HD13 ' N ' ' A' ' 108' ' ' GLU . 3.4 tm? -125.03 136.02 53.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.636 ' N ' HD13 ' A' ' 107' ' ' LEU . 18.5 mt-10 -118.86 145.96 45.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.977 HG23 ' HB2' ' A' ' 87' ' ' ALA . 19.1 t -123.28 120.61 60.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.423 ' O ' HG23 ' A' ' 21' ' ' VAL . 18.0 m170 -103.93 144.4 31.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -68.71 121.0 15.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.2 t -67.21 136.54 55.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 64.8 p -57.57 139.16 54.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.176 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -130.95 -63.53 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.523 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 116' ' ' THR . 14.8 t -98.36 154.07 18.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 111.155 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 115' ' ' THR . 22.4 p -35.57 146.15 0.19 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.56 0.695 . . . . 0.0 111.144 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 147.2 62.42 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -98.17 172.55 7.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 53.0 mt -41.67 123.12 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -110.2 176.18 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 77.6 p -147.54 113.66 5.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 150.12 164.08 11.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.462 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.21 35.4 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.5 t -138.35 170.6 15.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 39.9 m -150.49 146.38 26.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.454 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -91.94 159.22 15.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.893 0.377 . . . . 0.0 110.861 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -112.42 113.16 25.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.74 50.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.2 m -118.9 122.66 42.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 0.0 110.848 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -119.48 157.07 29.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.2 61.38 7.2 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.44 HD11 ' OD2' ' A' ' 101' ' ' ASP . 19.5 tt -88.35 148.3 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 111.133 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 10' ' ' PHE . 82.2 mt -107.49 -58.31 1.97 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 9' ' ' LEU . 2.2 t80 -37.04 101.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.434 HD13 ' HA ' ' A' ' 11' ' ' ILE . 20.7 mm -71.84 -75.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.408 ' CB ' ' HE3' ' A' ' 30' ' ' LYS . 1.3 tp10 -94.63 160.04 14.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -128.11 149.64 71.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.523 0.678 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 85.06 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -56.33 107.44 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.31 161.68 5.35 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.486 ' O ' HD22 ' A' ' 107' ' ' LEU . . . -157.99 -159.31 9.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.466 HG21 ' NE2' ' A' ' 110' ' ' HIS . 52.4 m -134.37 115.92 14.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 0.0 111.121 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.4 p -111.02 143.2 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.83 155.82 38.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.1 t -63.64 122.39 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.67 -15.66 62.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.501 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -76.09 -175.48 3.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.892 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -131.86 121.3 23.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.5 tt -120.62 154.82 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.139 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.1 m -138.7 140.79 38.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -111.43 152.91 26.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.43 HD13 ' HG2' ' A' ' 76' ' ' GLU . 42.2 mm -114.5 134.2 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -145.05 114.24 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.408 ' HE3' ' CB ' ' A' ' 12' ' ' GLU . 13.3 mtmt -107.5 152.29 24.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.483 ' O ' HG13 ' A' ' 72' ' ' VAL . 7.1 p -139.88 132.88 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -76.14 119.37 19.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -118.69 147.59 43.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -127.15 43.51 3.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.547 ' C ' HD23 ' A' ' 36' ' ' LEU . 21.5 t0 -169.86 160.35 8.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.547 HD23 ' C ' ' A' ' 35' ' ' ASP . 7.0 mt -116.27 -28.94 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.502 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 2.1 mp -70.73 -27.63 64.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -110.83 138.04 47.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.832 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 32.3 ttmt -126.36 127.24 24.64 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.546 0.689 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 163.6 37.67 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.653 2.236 . . . . 0.0 112.351 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.3 m -132.38 138.53 47.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.6 tt -116.52 130.67 70.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.588 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 3.0 tppp? -116.53 119.26 35.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.451 ' CE3' ' CE ' ' A' ' 77' ' ' MET . 27.4 m95 -89.59 128.81 36.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.588 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 56.0 m-85 -123.43 156.52 35.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.695 ' HB2' HD21 ' A' ' 52' ' ' LEU . 22.9 tptp -134.37 143.93 47.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.02 -129.64 35.26 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.524 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.448 ' HG2' ' CE2' ' A' ' 49' ' ' TRP . 6.0 ttmt -103.78 -54.33 2.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.448 ' CE2' ' HG2' ' A' ' 48' ' ' LYS . 4.8 m95 -113.08 -33.1 6.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.4 ttp -43.03 119.8 1.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.616 ' OD2' ' HB3' ' A' ' 53' ' ' ALA . 17.3 t70 -110.32 129.44 55.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.695 HD21 ' HB2' ' A' ' 46' ' ' LYS . 18.7 mt -77.95 -32.76 51.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.616 ' HB3' ' OD2' ' A' ' 51' ' ' ASP . . . -44.41 -33.54 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.3 t -91.78 -20.72 21.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' LEU . 72.3 mmtt -77.71 -26.13 49.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.586 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -55.79 109.57 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.97 -71.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -121.16 -52.55 2.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.465 ' CE1' ' HE2' ' A' ' 83' ' ' LYS . 5.9 m-70 -77.66 -13.04 60.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.586 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.1 tp -141.63 143.92 33.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.932 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.418 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 11.2 mm-40 -148.9 123.62 9.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.8 mt -89.98 162.73 15.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -143.44 146.87 33.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -151.23 136.81 17.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.2 t -146.12 155.66 42.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.53 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 35.4 t80 -121.99 143.4 49.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -124.76 94.05 4.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.458 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -62.17 -27.32 68.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -49.9 -40.95 44.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.8 m -123.38 2.64 9.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 59.32 53.13 5.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 31' ' ' VAL . 89.4 t -141.05 140.02 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.53 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 18.1 m-85 -100.96 145.6 28.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 94.3 m -125.42 108.43 11.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -102.76 141.2 35.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.43 ' HG2' HD13 ' A' ' 28' ' ' ILE . 6.7 mt-10 -131.66 163.91 27.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.451 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 44.0 ttp -134.71 98.32 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -85.38 110.97 19.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.573 HG12 HD12 ' A' ' 60' ' ' LEU . 2.6 mt -103.11 103.5 15.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.694 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.1 mp -88.6 142.89 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.2 mttt 49.39 47.55 22.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.9 115.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.474 ' HG3' ' CE1' ' A' ' 86' ' ' PHE . 44.6 mttt -87.65 162.82 16.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.07 -15.51 9.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -83.1 -18.63 38.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.474 ' CE1' ' HG3' ' A' ' 83' ' ' LYS . 5.2 m-85 -71.29 -14.06 62.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.971 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -78.14 152.72 32.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 138.71 -137.71 8.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -114.82 130.97 56.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.567 ' CE1' ' HD3' ' A' ' 46' ' ' LYS . 8.6 m-85 -104.96 156.87 17.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.9 ttp85 -148.16 123.65 10.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 14.7 p -116.48 139.72 50.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.525 ' OE1' ' CE2' ' A' ' 45' ' ' PHE . 12.4 mt-10 -125.54 118.36 25.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 90.2 t -120.9 108.08 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.761 HG23 ' HB2' ' A' ' 100' ' ' PHE . 3.5 m -107.08 118.97 38.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -113.75 155.1 26.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -49.56 -45.22 47.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.16 -70.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -138.05 167.76 21.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.761 ' HB2' HG23 ' A' ' 95' ' ' THR . 2.8 t80 -120.7 126.16 49.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.44 ' OD2' HD11 ' A' ' 8' ' ' ILE . 11.3 t0 -128.72 146.5 50.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.5 m -142.75 163.84 31.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 31.6 p -163.48 157.94 20.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 59.6 p -123.34 146.21 48.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.619 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 0.1 OUTLIER -130.2 -176.01 3.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -131.68 130.99 42.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.486 HD22 ' O ' ' A' ' 17' ' ' GLY . 2.7 tm? -125.82 121.91 34.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -105.36 159.2 16.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.971 HG23 ' HB2' ' A' ' 87' ' ' ALA . 23.5 t -133.36 124.83 49.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.466 ' NE2' HG21 ' A' ' 18' ' ' THR . 18.6 m170 -103.99 143.08 33.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.807 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -66.12 122.6 17.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.0 t -70.32 82.42 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 54.5 m -65.63 -52.31 52.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 117.2 -90.73 0.52 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 58.6 m -130.16 140.23 50.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.372 . . . . 0.0 111.135 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.9 p -118.02 150.15 46.82 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.595 0.712 . . . . 0.0 111.135 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 118.99 6.01 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 0.0 112.393 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -49.16 161.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 4.6 mp -84.78 113.86 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.188 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -41.14 137.01 1.42 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.5 m -143.43 152.79 41.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -154.51 119.94 0.98 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.453 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 129.49 17.66 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.666 2.244 . . . . 0.0 112.303 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 92.1 p -76.56 133.74 39.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 62.8 m -57.16 147.84 23.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -71.49 166.27 22.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.824 0.345 . . . . 0.0 110.85 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.3 m -67.7 168.78 10.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.829 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.13 -143.07 4.44 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -128.85 94.0 3.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 110.849 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -85.15 104.42 15.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.25 106.51 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.441 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.8 tt -125.5 161.07 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 111.097 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.402 HD22 ' O ' ' A' ' 99' ' ' LYS . 8.9 tp -52.94 -64.34 0.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -70.66 90.41 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.6 HG23 ' N ' ' A' ' 12' ' ' GLU . 3.2 tp -63.46 -49.74 81.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.141 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.6 ' N ' HG23 ' A' ' 11' ' ' ILE . 8.7 tp10 -114.73 154.34 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt -122.22 142.15 36.15 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.583 0.706 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.408 ' HG2' ' CD1' ' A' ' 105' ' ' PHE . 54.0 Cg_endo -69.74 101.34 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.248 . . . . 0.0 112.368 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -71.45 116.42 11.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.81 162.7 8.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.7 -150.83 5.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.525 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.503 HG23 ' HB3' ' A' ' 108' ' ' GLU . 3.8 m -142.54 115.1 8.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 111.149 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.9 p -114.78 141.54 30.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' CB ' ' OE1' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -74.31 155.1 38.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 110' ' ' HIS . 53.6 t -64.2 121.36 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.087 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.62 -4.44 69.22 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.405 ' OE1' ' CB ' ' A' ' 20' ' ' LYS . 30.1 mt-10 -88.37 -176.61 5.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -126.17 128.64 47.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.8 tt -131.08 153.21 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.5 m -138.64 139.58 38.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.558 ' HZ ' HD13 ' A' ' 107' ' ' LEU . 78.8 m-85 -108.51 155.48 20.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.529 HD13 ' HG2' ' A' ' 76' ' ' GLU . 35.3 mm -111.15 141.02 27.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.45 116.79 5.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -108.7 148.48 30.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.8 t -138.09 130.37 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -75.92 128.96 36.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.73 164.36 26.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.063 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -123.62 -42.81 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.35 135.91 33.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.87 -42.79 23.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.9 mt -56.62 -59.46 4.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -63.69 132.6 51.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.408 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 25.5 ttpt -129.89 119.61 19.06 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.522 0.677 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 163.49 38.08 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.383 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.2 m -125.39 133.53 52.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 12.4 tt -107.83 128.92 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.144 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.463 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 3.2 tppt? -118.21 121.16 39.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.426 ' CE2' ' HB2' ' A' ' 77' ' ' MET . 17.6 m95 -93.34 129.1 39.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.463 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 51.3 m-85 -121.71 154.35 36.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.764 ' HB2' HD21 ' A' ' 52' ' ' LEU . 25.4 tptp -125.8 147.39 49.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.22 -131.93 50.16 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -104.34 -48.02 3.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 5.3 m95 -116.03 -31.38 5.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.7 ttp -42.86 124.32 3.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -106.32 136.57 45.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.764 HD21 ' HB2' ' A' ' 46' ' ' LYS . 80.1 mt -89.84 -40.45 12.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -42.9 -32.42 0.63 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.7 t -83.41 -31.77 26.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' LEU . 38.3 mmtt -71.22 -28.76 64.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.526 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -54.42 110.45 0.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -171.8 -73.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.45 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -117.39 -38.75 3.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.826 0.346 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.626 ' CD2' ' HB2' ' A' ' 81' ' ' LYS . 15.1 m80 -92.09 -15.8 27.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.587 HD12 HG12 ' A' ' 79' ' ' ILE . 5.0 tp -139.85 145.22 37.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -148.77 122.87 9.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.1 mt -95.19 153.51 17.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -130.92 150.18 52.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -150.12 134.11 16.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 74' ' ' THR . 12.1 t -143.15 154.12 43.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.681 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 57.6 t80 -119.67 147.6 44.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -129.62 96.5 4.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -22.3 66.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -43.64 -64.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t -111.74 6.46 19.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.4 mtt85 66.31 45.71 2.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.2 t -125.74 139.82 50.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.681 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 64.2 m-85 -99.85 150.55 22.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.567 ' O ' HG22 ' A' ' 65' ' ' THR . 87.6 m -132.72 101.69 5.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.138 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -102.58 139.63 37.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.529 ' HG2' HD13 ' A' ' 28' ' ' ILE . 42.6 mt-10 -125.38 166.61 16.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.512 ' SD ' ' CG1' ' A' ' 79' ' ' ILE . 12.0 tmm? -135.04 99.77 4.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -83.79 138.18 33.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.587 HG12 HD12 ' A' ' 60' ' ' LEU . 2.3 mt -126.78 101.32 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.663 ' H ' HD12 ' A' ' 80' ' ' ILE . 0.9 OUTLIER -88.56 141.41 14.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 179.842 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.626 ' HB2' ' CD2' ' A' ' 59' ' ' HIS . 14.9 mttp 50.7 45.77 26.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.55 126.77 10.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.076 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.614 ' HE2' ' CD2' ' A' ' 59' ' ' HIS . 23.0 mttm -99.68 162.29 13.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.92 -16.55 12.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -82.8 -18.99 38.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -72.61 -16.01 61.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.111 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -75.45 142.69 42.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 143.27 -141.77 10.77 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -107.48 134.67 50.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.582 ' CE2' HD11 ' A' ' 52' ' ' LEU . 26.4 m-85 -110.96 170.2 8.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -151.06 148.45 28.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.3 p -139.31 117.79 12.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.414 ' HG2' ' CB ' ' A' ' 102' ' ' SER . 36.2 mt-10 -113.07 120.21 40.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.4 t -120.29 106.21 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.163 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.6 p -95.76 131.7 41.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.403 ' CE1' ' HG2' ' A' ' 97' ' ' LYS . 9.4 t80 -132.99 172.7 12.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 97' ' ' LYS . 3.9 mmmt -66.85 -45.77 77.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.48 -74.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.402 ' O ' HD22 ' A' ' 9' ' ' LEU . 2.0 mmmp? -138.01 167.54 21.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -127.01 126.83 43.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -139.16 156.79 46.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.414 ' CB ' ' HG2' ' A' ' 93' ' ' GLU . 70.7 p -146.28 148.03 32.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 7.5 t -129.02 168.68 15.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 94.0 p -140.84 139.58 34.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.479 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 1.2 p90 -130.52 -177.27 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.4 128.45 41.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.558 HD13 ' HZ ' ' A' ' 27' ' ' PHE . 29.9 tp -110.97 159.13 18.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.503 ' HB3' HG23 ' A' ' 18' ' ' THR . 21.5 mt-10 -134.49 148.09 50.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 1.111 HG23 ' HB2' ' A' ' 87' ' ' ALA . 16.6 t -127.43 122.86 60.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.163 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.439 ' NE2' HG21 ' A' ' 18' ' ' THR . 16.1 m170 -103.35 141.62 35.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -67.56 120.73 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.8 t -62.29 137.51 58.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.8 m 55.41 44.96 26.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.167 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -134.74 -75.08 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.1 t -121.86 132.46 54.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.899 0.381 . . . . 0.0 111.1 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 25.2 p -86.99 144.44 36.54 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.616 0.722 . . . . 0.0 111.082 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 177.64 5.37 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.352 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -116.21 154.84 29.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 19.2 mt -137.96 145.94 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -150.21 112.67 4.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 65.6 m -100.88 152.47 20.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -123.7 165.44 16.5 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 117.45 5.09 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.654 2.236 . . . . 0.0 112.307 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.2 m -117.21 161.4 19.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.2 t -108.61 175.74 5.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.425 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t -97.49 150.16 21.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.869 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.9 t -74.09 161.99 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.48 -135.38 1.96 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.469 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 t -165.07 156.96 15.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.361 . . . . 0.0 110.862 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -142.47 156.16 45.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.61 65.16 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.506 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.525 ' H ' HD12 ' A' ' 8' ' ' ILE . 5.4 mp -74.42 138.26 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 111.148 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.6 tp -117.34 -44.05 2.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.54 76.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.536 HG22 ' N ' ' A' ' 12' ' ' GLU . 15.1 mm -45.45 -76.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.536 ' N ' HG22 ' A' ' 11' ' ' ILE . 8.4 tp10 -86.91 136.32 32.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -118.43 142.52 31.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.578 0.704 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 82.71 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.392 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -58.84 112.07 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.58 156.93 34.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.452 ' O ' HD22 ' A' ' 107' ' ' LEU . . . -149.16 -147.22 4.48 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.522 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.691 HG23 ' CB ' ' A' ' 108' ' ' GLU . 5.7 m -139.94 116.11 10.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 111.134 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.1 p -111.1 139.59 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.439 ' HB3' ' CD ' ' A' ' 23' ' ' GLU . 1.6 tppp? -73.5 152.82 40.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.3 t -60.43 119.19 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.74 -17.73 57.9 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.507 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 1.6 mp0 -75.9 -178.44 4.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.892 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 2.3 p-10 -128.57 132.1 48.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.829 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.2 tt -129.66 154.05 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.3 m -134.96 129.27 33.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -102.0 136.79 41.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.548 HD13 ' HG2' ' A' ' 76' ' ' GLU . 32.1 mm -99.02 125.83 52.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.5 111.61 4.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.076 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.459 ' HE3' ' CB ' ' A' ' 12' ' ' GLU . 2.0 ptpt -128.22 142.43 51.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.69 ' O ' HG13 ' A' ' 72' ' ' VAL . 4.2 p -111.76 149.8 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -75.63 133.61 40.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.57 163.75 27.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -132.23 -48.43 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -89.34 161.42 16.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.2 mt -104.44 -39.6 6.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.9 mm? -51.46 -44.65 62.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -85.67 155.95 20.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.41 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 27.3 ttmt -144.37 119.89 6.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.701 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.446 ' HD2' ' CE1' ' A' ' 73' ' ' TYR . 54.2 Cg_endo -69.7 127.7 15.01 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.679 2.252 . . . . 0.0 112.364 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 56.5 m -88.37 142.41 27.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.9 tt -126.34 149.0 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.102 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.604 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 2.4 tppp? -144.18 137.52 27.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -105.35 133.1 50.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.604 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 64.7 m-85 -130.11 162.39 28.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' A' ' 47' ' ' GLY . 14.2 tmtt? -151.22 144.68 24.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.425 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 70.19 -132.48 23.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HG2' ' CD1' ' A' ' 49' ' ' TRP . 24.2 ttpt -104.54 -52.64 2.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.779 0.323 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.562 ' CD1' ' HG2' ' A' ' 48' ' ' LYS . 65.0 m95 -114.23 -34.56 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.615 ' HE2' HD23 ' A' ' 52' ' ' LEU . 2.2 ttp -41.87 113.57 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -108.56 100.89 10.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.615 HD23 ' HE2' ' A' ' 50' ' ' MET . 36.7 mt -47.1 -42.93 19.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.486 ' CB ' ' HD2' ' A' ' 43' ' ' LYS . . . -41.4 -49.7 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 p -78.12 -29.54 48.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt -66.85 -31.34 71.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.683 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -54.17 118.64 4.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -163.14 -57.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.454 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -132.2 -63.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -65.71 -28.14 68.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.683 HD23 ' CA ' ' A' ' 56' ' ' ALA . 3.9 tp -120.48 146.54 46.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.415 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 32.7 mm-40 -148.98 126.37 11.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.7 mt -97.81 157.42 16.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -130.34 150.4 51.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -152.7 126.41 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 74' ' ' THR . 6.5 t -141.5 162.81 34.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.428 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 61.5 t80 -132.39 144.95 50.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 71' ' ' ARG . 33.2 mp0 -124.24 105.33 9.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.454 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -68.17 -37.34 80.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.431 ' CD2' ' HB3' ' A' ' 67' ' ' GLU . 1.4 p-80 -54.36 -36.21 63.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.0 p -112.22 -9.16 13.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 67' ' ' GLU . 14.2 mtt85 56.73 51.57 10.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.69 HG13 ' O ' ' A' ' 31' ' ' VAL . 91.7 t -143.1 135.25 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.591 ' HB3' ' CZ ' ' A' ' 75' ' ' PHE . 76.3 m-85 -90.26 124.12 34.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.499 ' O ' HG22 ' A' ' 65' ' ' THR . 62.3 m -106.93 106.85 17.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.138 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.591 ' CZ ' ' HB3' ' A' ' 73' ' ' TYR . 14.3 m-85 -104.39 142.71 34.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.548 ' HG2' HD13 ' A' ' 28' ' ' ILE . 6.6 mt-10 -135.77 167.07 21.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 31.3 ttp -136.7 102.71 4.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 61' ' ' GLN . 2.8 tt0 -89.04 111.46 22.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.524 HG12 HD12 ' A' ' 60' ' ' LEU . 3.1 mt -102.53 117.9 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.4 mp -103.53 130.47 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.1 mttt 64.05 45.66 4.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.89 112.67 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -89.84 166.07 13.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.34 -24.03 41.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.43 -16.57 61.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.408 ' O ' HD12 ' A' ' 107' ' ' LEU . 3.1 m-85 -79.87 -10.26 59.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.055 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -88.42 118.99 28.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 170.19 -123.99 1.1 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.445 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -116.66 138.54 51.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 9.2 m-85 -122.29 144.74 48.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -130.93 158.02 41.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 7.1 t -139.58 128.9 24.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -118.11 130.71 56.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 94' ' ' VAL . 13.3 p -140.99 115.0 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.9 m -110.13 141.17 43.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.159 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.512 ' O ' ' C ' ' A' ' 97' ' ' LYS . 5.3 t80 -134.51 -179.53 5.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' A' ' 96' ' ' TYR . 46.5 mttt -27.82 -74.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -132.48 30.51 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -138.35 133.03 32.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -141.63 130.49 23.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -135.72 154.61 51.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 52.1 p -136.4 123.16 21.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 16.2 t -124.34 126.34 45.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 100.0 p -112.33 149.51 32.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 90' ' ' TYR . 1.9 p90 -135.22 176.77 8.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -118.37 131.87 56.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.452 HD22 ' O ' ' A' ' 17' ' ' GLY . 1.9 tm? -117.78 131.72 56.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.691 ' CB ' HG23 ' A' ' 18' ' ' THR . 2.0 mp0 -111.64 153.31 26.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 1.055 HG23 ' HB2' ' A' ' 87' ' ' ALA . 21.8 t -136.48 117.39 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -103.0 143.89 31.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.97 128.08 34.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.0 t -80.23 78.77 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.552 HG22 ' O ' ' A' ' 113' ' ' THR . 15.5 m 59.04 37.61 24.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.12 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -92.45 -169.69 40.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.52 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 77.5 p -126.67 159.05 34.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.861 0.362 . . . . 0.0 111.145 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 20.9 p -105.72 152.27 40.09 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.619 0.723 . . . . 0.0 111.124 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 170.72 15.88 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -68.55 168.83 12.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 28.6 mt -130.99 110.01 17.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 21.5 t0 48.42 40.92 15.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.0 t -88.85 118.96 28.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -146.94 162.54 28.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 139.67 41.11 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.368 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.3 m -88.94 -59.55 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.0 m -79.8 117.8 21.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.7 p -129.4 -45.16 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.909 0.385 . . . . 0.0 110.865 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 t -66.51 81.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.48 146.08 32.48 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.6 p -108.89 -46.21 3.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.895 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -137.89 147.78 44.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.2 76.16 1.32 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.522 HG23 ' O ' ' A' ' 8' ' ' ILE . 14.5 tt -166.5 118.74 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 111.099 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.48 HD22 ' O ' ' A' ' 32' ' ' LYS . 10.9 mt -82.76 -59.49 2.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.657 ' HZ ' ' HB1' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -54.26 84.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' ' 9' ' ' LEU . 4.6 tp -55.88 -42.04 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.45 ' N ' HG23 ' A' ' 11' ' ' ILE . 9.7 tm-20 -123.78 142.27 51.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -130.2 145.12 55.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.608 0.718 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 120.95 7.66 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -90.38 17.47 7.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 48.89 -178.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.525 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -174.37 -148.22 6.47 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.429 HG21 ' NE2' ' A' ' 110' ' ' HIS . 16.9 m -142.32 125.38 16.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.805 0.336 . . . . 0.0 111.172 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.7 p -123.49 143.03 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -73.86 153.17 39.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.99 117.61 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.143 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.85 -9.82 62.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -82.14 -178.43 7.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -128.49 126.11 39.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.7 tt -127.01 152.78 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 m -132.55 135.6 46.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -105.5 154.59 20.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.401 HD13 ' HG2' ' A' ' 76' ' ' GLU . 38.9 mm -113.04 136.44 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.657 ' HB1' ' HZ ' ' A' ' 10' ' ' PHE . . . -157.4 112.82 2.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.117 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -114.7 169.28 9.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.644 ' O ' HG13 ' A' ' 72' ' ' VAL . 9.6 p -146.52 138.14 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.48 ' O ' HD22 ' A' ' 9' ' ' LEU . 4.7 tptm -76.19 114.27 14.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.03 167.83 9.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.065 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -133.81 -43.88 0.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.46 ' OD1' ' C ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -97.86 156.11 16.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.8 mt -101.36 -47.24 4.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.9 mt -43.03 -47.25 5.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.522 ' CD ' ' HE2' ' A' ' 97' ' ' LYS . 8.9 mmt180 -90.43 153.78 20.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt -141.68 123.19 8.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.571 0.7 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 148.87 66.05 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.646 2.23 . . . . 0.0 112.359 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.6 m -114.4 139.52 49.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.204 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.675 ' HA ' HG12 ' A' ' 94' ' ' VAL . 5.7 tt -109.02 151.86 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -142.58 117.05 9.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -89.37 134.52 34.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.472 ' CE1' ' OD1' ' A' ' 51' ' ' ASP . 67.5 m-85 -126.12 171.74 10.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.455 ' HD3' ' N ' ' A' ' 47' ' ' GLY . 11.1 tmtt? -162.15 145.88 12.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.455 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 69.55 -132.44 24.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.52 ' HD2' ' CE2' ' A' ' 49' ' ' TRP . 6.5 tmtm? -104.4 -55.89 2.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.52 ' CE2' ' HD2' ' A' ' 48' ' ' LYS . 17.8 m95 -112.15 -31.81 6.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.496 ' CE ' HD23 ' A' ' 52' ' ' LEU . 5.9 ttp -42.78 118.65 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.589 ' OD2' ' HB3' ' A' ' 53' ' ' ALA . 18.5 t70 -112.77 101.96 10.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.496 HD23 ' CE ' ' A' ' 50' ' ' MET . 33.7 mt -49.75 -39.23 36.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.589 ' HB3' ' OD2' ' A' ' 51' ' ' ASP . . . -43.1 -49.12 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 p -79.47 -20.82 46.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt -74.03 -28.89 61.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.601 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -55.36 119.84 6.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -164.16 -68.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.439 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -123.07 -63.68 1.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -64.0 -29.19 70.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.601 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.9 tp -121.06 146.15 47.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.401 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 35.4 mm-40 -148.42 124.31 10.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.0 mt -94.71 162.44 13.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -138.37 145.57 41.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -152.19 126.05 9.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.597 HG23 ' OE2' ' A' ' 67' ' ' GLU . 15.1 t -138.08 166.27 24.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.453 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 39.2 t80 -128.01 144.14 51.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.597 ' OE2' HG23 ' A' ' 65' ' ' THR . 12.8 mp0 -126.05 95.61 4.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.459 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -63.66 -28.89 70.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -51.29 -37.78 49.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.8 m -123.06 -0.23 8.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 31.7 mtm-85 59.5 48.58 9.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 31' ' ' VAL . 87.4 t -139.17 133.19 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.574 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 37.6 m-85 -90.57 137.77 32.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.513 ' O ' HG22 ' A' ' 65' ' ' THR . 16.4 m -115.32 106.0 13.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 73' ' ' TYR . 7.8 m-85 -105.45 133.45 50.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.401 ' HG2' HD13 ' A' ' 28' ' ' ILE . 20.9 mt-10 -125.03 167.29 14.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 47.1 ttp -134.85 99.37 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -88.32 111.85 22.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.949 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.49 HG12 HD12 ' A' ' 60' ' ' LEU . 2.8 mt -103.16 117.0 47.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.452 HG22 ' HG3' ' A' ' 81' ' ' LYS . 2.3 mp -102.86 130.89 52.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.452 ' HG3' HG22 ' A' ' 80' ' ' ILE . 18.2 mttm 61.04 52.83 3.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.68 112.63 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.083 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -86.91 168.3 13.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.3 -10.86 3.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -85.97 -16.29 38.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -78.71 -6.39 55.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.018 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -90.4 124.98 35.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.067 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 166.05 -134.43 3.29 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -116.73 123.72 47.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.624 ' CB ' ' CE2' ' A' ' 105' ' ' PHE . 3.7 m-85 -101.32 159.28 15.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -152.8 123.71 7.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.0 p -115.42 137.58 51.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.462 ' HG2' ' CB ' ' A' ' 102' ' ' SER . 30.7 mt-10 -134.4 132.19 39.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.675 HG12 ' HA ' ' A' ' 42' ' ' ILE . 3.3 m -134.75 117.5 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.0 m -100.47 113.39 26.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -107.8 154.71 21.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.522 ' HE2' ' CD ' ' A' ' 38' ' ' ARG . 9.5 mmtm -52.78 -45.87 67.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.69 -72.54 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -139.01 165.34 27.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -121.4 125.77 47.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -137.68 148.26 45.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.462 ' CB ' ' HG2' ' A' ' 93' ' ' GLU . 59.6 p -145.6 168.26 21.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 30.8 p -147.73 -178.87 6.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.9 m -140.99 143.86 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.624 ' CE2' ' CB ' ' A' ' 90' ' ' TYR . 0.5 OUTLIER -142.78 -176.79 5.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.3 150.93 49.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -130.55 129.87 43.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.4 ' CB ' HG23 ' A' ' 18' ' ' THR . 40.2 mt-10 -107.53 147.18 30.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 1.018 HG23 ' HB2' ' A' ' 87' ' ' ALA . 38.6 t -128.25 122.19 57.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.429 ' NE2' HG21 ' A' ' 18' ' ' THR . 17.5 m170 -103.29 140.98 36.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -64.48 123.63 19.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.6 t -73.47 105.71 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.846 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 53.5 p -141.09 117.41 10.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.152 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.54 124.14 7.44 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.504 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 33.3 m -84.81 129.73 34.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 111.167 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 80.9 p -81.71 144.92 53.16 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.567 0.698 . . . . 0.0 111.182 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 172.07 13.27 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.688 2.259 . . . . 0.0 112.358 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.484 ' CG ' ' N ' ' A' ' 119' ' ' ILE . 7.1 t30 -132.3 169.15 16.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.484 ' N ' ' CG ' ' A' ' 118' ' ' ASN . 63.9 mt -116.63 141.79 33.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -95.92 157.35 15.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 55.0 p -46.67 166.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -115.49 168.57 12.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 178.2 4.8 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.691 2.26 . . . . 0.0 112.359 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.4 t -120.97 170.5 9.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.4 t -108.96 176.03 5.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 t -120.48 103.98 9.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.889 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -105.45 159.8 15.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.94 -139.21 8.26 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -92.02 174.12 7.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.865 0.364 . . . . 0.0 110.884 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.5 p -117.59 98.58 6.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.34 177.63 26.27 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -138.57 115.33 10.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.856 0.36 . . . . 0.0 111.159 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.488 HD23 ' HB2' ' A' ' 101' ' ' ASP . 5.5 tp -77.65 -38.28 48.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.718 ' CD1' HG11 ' A' ' 94' ' ' VAL . 2.8 t80 -73.31 103.35 3.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.706 HD11 ' HB2' ' A' ' 32' ' ' LYS . 28.0 mm -41.84 -75.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.519 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 4.7 tp10 -109.55 143.17 39.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -107.99 140.31 21.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.594 0.711 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 83.11 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.735 2.29 . . . . 0.0 112.328 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -62.93 107.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.4 167.19 0.43 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.456 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.52 -146.91 4.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.489 HG23 ' CB ' ' A' ' 108' ' ' GLU . 14.1 m -142.65 110.91 6.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 0.0 111.098 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.7 p -106.07 141.66 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.94 153.65 39.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.3 t -63.11 123.16 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.16 -16.94 59.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -74.91 -175.3 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.5 p-10 -130.27 120.95 25.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.5 tt -123.04 151.54 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.2 m -134.72 141.94 46.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -107.69 153.33 23.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.487 HD13 ' HG2' ' A' ' 76' ' ' GLU . 35.9 mm -113.18 139.26 39.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.161 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.448 ' HB1' ' HZ ' ' A' ' 10' ' ' PHE . . . -148.1 117.76 7.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.0 mtmt -116.82 148.86 40.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.925 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.491 ' O ' HG13 ' A' ' 72' ' ' VAL . 14.9 p -141.99 139.48 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.706 ' HB2' HD11 ' A' ' 11' ' ' ILE . 7.6 tptt -76.17 127.58 33.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -123.01 159.65 27.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -124.98 -44.46 1.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -93.56 131.96 38.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 40.6 mt -73.61 -50.4 21.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 mt -53.27 -47.45 69.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -72.96 143.91 47.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.475 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 33.5 ttmt -140.86 122.05 9.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.504 0.669 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.421 ' HD2' ' CE1' ' A' ' 73' ' ' TYR . 54.0 Cg_endo -69.78 139.55 40.41 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 65.8 m -97.61 144.69 27.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.721 HD11 ' SG ' ' A' ' 92' ' ' CYS . 11.8 tt -123.93 147.91 28.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.59 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 1.7 tppp? -136.33 126.74 26.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.404 ' HB3' HD12 ' A' ' 52' ' ' LEU . 42.9 m95 -96.72 124.87 40.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.59 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 64.0 m-85 -122.02 170.34 9.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 47' ' ' GLY . 11.0 tmtt? -160.56 145.67 14.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.411 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 70.24 -131.04 22.18 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.506 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.553 ' HB3' ' CD1' ' A' ' 49' ' ' TRP . 3.8 tmtp? -104.23 -56.51 2.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.758 0.313 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.553 ' CD1' ' HB3' ' A' ' 48' ' ' LYS . 4.3 m95 -113.41 -30.53 6.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.941 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.586 ' CE ' HD23 ' A' ' 52' ' ' LEU . 2.8 ttp -43.74 114.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.498 ' CG ' ' CE1' ' A' ' 45' ' ' PHE . 32.8 t0 -108.62 100.12 9.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.586 HD23 ' CE ' ' A' ' 50' ' ' MET . 42.4 mt -44.56 -34.56 2.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.925 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.456 ' HB3' ' OD2' ' A' ' 51' ' ' ASP . . . -45.87 -50.84 13.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.59 -11.96 59.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.456 ' CE ' ' HG2' ' A' ' 50' ' ' MET . 50.8 mmtt -85.1 -19.23 32.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.728 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -67.14 113.18 4.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.072 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -154.18 -71.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.51 ' CG ' ' N ' ' A' ' 59' ' ' HIS . 2.7 ptpp? -124.16 -48.49 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.787 0.327 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.51 ' N ' ' CG ' ' A' ' 58' ' ' LYS . 78.5 m-70 -77.28 -16.93 58.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.728 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.0 tp -134.32 145.68 49.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.932 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.412 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 21.0 mm100 -150.39 124.89 9.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.0 mt -91.05 162.59 14.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -138.2 148.39 44.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -151.64 129.04 11.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.481 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 11.7 t -140.4 157.47 45.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.172 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.515 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 35.9 t80 -128.64 144.77 51.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -127.86 91.92 3.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.452 ' HD2' ' CE2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -59.35 -24.87 63.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -52.98 -35.85 59.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.3 m -125.75 -0.58 7.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.462 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 34.5 mtm-85 60.07 45.52 11.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 31' ' ' VAL . 94.0 t -133.53 132.15 57.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 66' ' ' PHE . 85.6 m-85 -91.33 155.14 18.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.481 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 86.1 m -137.93 106.35 5.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -104.21 139.07 39.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.487 ' HG2' HD13 ' A' ' 28' ' ' ILE . 7.6 mt-10 -131.02 166.82 20.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 44.6 ttp -134.98 97.71 3.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -82.88 110.65 18.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.54 HG12 HD12 ' A' ' 60' ' ' LEU . 2.8 mt -102.42 112.14 34.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.496 ' H ' HD12 ' A' ' 80' ' ' ILE . 2.0 mp -97.68 136.34 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.169 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.4 mttt 55.74 50.64 13.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.78 115.23 1.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.081 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -89.68 173.9 8.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.84 -7.73 12.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -89.95 -12.49 38.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.564 ' O ' HD12 ' A' ' 107' ' ' LEU . 3.4 m-85 -83.52 1.1 43.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.042 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -99.49 129.72 45.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.092 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 160.43 -130.28 2.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -116.11 122.28 44.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.537 ' CB ' ' CE2' ' A' ' 105' ' ' PHE . 7.4 m-85 -102.56 135.6 43.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -125.69 121.55 33.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.721 ' SG ' HD11 ' A' ' 42' ' ' ILE . 2.9 t -114.12 138.09 50.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.468 ' OE1' ' CZ ' ' A' ' 100' ' ' PHE . 20.5 mm-40 -128.04 132.12 49.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.718 HG11 ' CD1' ' A' ' 10' ' ' PHE . 3.4 p -125.68 113.03 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.5 m -104.42 112.48 25.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 97' ' ' LYS . 12.1 t80 -116.56 135.3 53.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 96' ' ' TYR . 4.7 mmmt -34.32 -47.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.415 ' HB2' ' CD2' ' A' ' 96' ' ' TYR . 1.7 m-20 -63.6 -73.43 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.402 ' HB2' HD22 ' A' ' 9' ' ' LEU . 53.6 mttt -136.44 159.8 40.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.468 ' CZ ' ' OE1' ' A' ' 93' ' ' GLU . 0.7 OUTLIER -117.03 117.65 30.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.488 ' HB2' HD23 ' A' ' 9' ' ' LEU . 26.2 t70 -108.44 172.0 7.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.427 ' CB ' ' OE2' ' A' ' 93' ' ' GLU . 34.6 p -140.68 166.98 23.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 15.3 t -159.52 147.17 17.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 99.4 p -141.91 133.0 26.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.537 ' CE2' ' CB ' ' A' ' 90' ' ' TYR . 0.5 OUTLIER -136.25 179.98 6.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.858 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -128.66 125.69 38.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.596 HD13 ' N ' ' A' ' 108' ' ' GLU . 2.5 tm? -105.77 138.73 41.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.596 ' N ' HD13 ' A' ' 107' ' ' LEU . 11.6 mp0 -119.2 148.3 43.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 1.042 HG23 ' HB2' ' A' ' 87' ' ' ALA . 37.2 t -125.37 119.95 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.461 ' NE2' HG21 ' A' ' 18' ' ' THR . 18.3 m170 -103.0 141.73 35.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -63.59 120.6 12.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 29.1 t -66.87 137.58 56.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 24.1 p -59.38 113.07 1.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.153 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -161.15 -51.76 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.469 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 3.9 t -89.07 166.96 13.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.845 0.355 . . . . 0.0 111.196 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 41.8 p -52.76 139.44 41.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.548 0.69 . . . . 0.0 111.162 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 149.6 67.53 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.376 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -121.83 177.45 5.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 31.3 mm -108.57 133.71 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -135.8 105.55 6.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.7 m -140.21 157.94 44.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 178.46 -113.49 0.41 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.517 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 178.2 4.83 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.673 2.249 . . . . 0.0 112.326 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.5 m -65.58 164.23 14.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.7 t -73.85 122.34 22.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.811 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.452 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.3 t -85.87 117.46 24.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.916 0.389 . . . . 0.0 110.89 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.5 p -155.84 156.12 34.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.87 64.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -128.58 113.77 15.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m -118.71 155.86 30.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.816 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.17 71.65 0.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.453 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.4 tt -119.01 156.42 21.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.867 0.365 . . . . 0.0 111.152 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 11' ' ' ILE . 12.5 mt -76.4 -51.22 12.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.19 76.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 12' ' ' GLU . 6.6 tt -55.98 -41.9 69.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.119 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.46 ' N ' HG23 ' A' ' 11' ' ' ILE . 1.2 tp10 -106.76 153.81 21.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HG3' ' C ' ' A' ' 12' ' ' GLU . 2.9 mtmp? -142.45 136.56 14.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.711 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 119.24 6.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.319 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -92.45 27.4 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 38.28 -157.98 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.597 ' O ' HD22 ' A' ' 107' ' ' LEU . . . 171.83 -156.62 26.14 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.512 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.65 HG23 ' CB ' ' A' ' 108' ' ' GLU . 3.0 m -135.29 118.74 16.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 111.162 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.7 p -116.48 144.31 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.406 ' HD2' ' O ' ' A' ' 111' ' ' GLU . 1.0 OUTLIER -79.07 152.18 31.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 110' ' ' HIS . 80.0 t -60.67 116.56 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.133 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.78 -12.07 60.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -79.98 -177.15 5.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 110.936 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -128.68 121.75 29.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.5 tt -123.06 152.57 27.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 m -136.43 136.47 39.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.154 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -106.79 154.5 20.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.484 ' CG2' ' HE2' ' A' ' 30' ' ' LYS . 37.4 mm -115.56 134.48 58.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.088 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.41 112.72 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.069 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.484 ' HE2' ' CG2' ' A' ' 28' ' ' ILE . 21.6 mtmt -114.82 164.63 13.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.574 ' O ' HG13 ' A' ' 72' ' ' VAL . 10.0 p -140.04 144.54 27.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.161 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.437 ' O ' HD22 ' A' ' 9' ' ' LEU . 15.9 tptt -77.08 122.02 24.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -123.73 147.1 47.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.084 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -118.66 -46.18 2.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -89.24 120.2 30.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 70.3 mt -66.56 -47.86 71.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 mt -50.19 -40.63 47.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -81.3 137.48 35.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.429 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 3.7 ttmm -130.44 120.13 18.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.611 0.719 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.4 ' HD2' ' CZ ' ' A' ' 73' ' ' TYR . 54.2 Cg_endo -69.7 168.98 19.9 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.9 m -134.28 132.24 39.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.465 ' HA ' HG22 ' A' ' 94' ' ' VAL . 6.5 tt -113.42 134.42 56.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -128.79 117.84 21.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.559 ' CE3' ' SG ' ' A' ' 92' ' ' CYS . 45.5 m95 -85.42 139.41 31.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -131.87 167.65 19.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.574 ' HD3' ' CE1' ' A' ' 90' ' ' TYR . 20.9 tptm -145.68 153.3 40.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.73 -127.2 40.89 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.508 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.614 ' HG3' ' CD1' ' A' ' 49' ' ' TRP . 16.3 tptm -102.91 -60.25 1.58 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.73 0.3 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.614 ' CD1' ' HG3' ' A' ' 48' ' ' LYS . 77.2 m95 -128.2 38.0 4.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.1 ttp -94.61 126.53 39.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -97.0 120.69 37.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.1 mt -82.95 -41.33 18.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -42.46 -42.5 3.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.2 t -72.37 -34.65 68.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -65.87 -35.27 80.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.606 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -54.24 112.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -157.88 -58.74 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -129.86 -58.24 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -70.29 -27.0 64.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.606 HD23 ' CA ' ' A' ' 56' ' ' ALA . 3.9 tp -124.55 145.5 49.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.406 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 29.5 mm-40 -148.26 125.73 11.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.7 mt -93.5 162.8 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -136.88 146.88 46.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -152.56 129.21 10.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.489 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 14.8 t -142.73 163.94 31.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.124 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.446 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 45.1 t80 -125.85 145.13 50.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -129.46 91.34 3.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.412 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -60.33 -32.48 71.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -38.02 -49.02 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.5 m -118.49 3.52 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.564 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 14.3 mtt85 62.96 41.73 8.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 31' ' ' VAL . 95.3 t -128.46 134.85 63.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.456 ' HB2' HG12 ' A' ' 31' ' ' VAL . 63.7 m-85 -90.76 152.4 20.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.489 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 11.5 m -131.49 114.53 15.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.45 ' C ' ' OE2' ' A' ' 76' ' ' GLU . 6.9 m-85 -113.93 141.2 47.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.45 ' OE2' ' C ' ' A' ' 75' ' ' PHE . 1.4 mp0 -135.04 166.82 22.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 45.2 ttp -134.96 99.98 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -85.67 108.78 18.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.523 HG12 HD12 ' A' ' 60' ' ' LEU . 2.6 mt -100.42 115.03 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.4 mp -100.22 134.77 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.5 mttt 57.54 47.89 15.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.03 114.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -89.34 166.16 13.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.32 -25.36 48.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -72.69 -16.73 61.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -78.87 -6.32 55.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.011 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -88.74 115.75 26.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 172.05 -153.13 18.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -98.28 120.52 38.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.357 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.651 ' CB ' ' CZ ' ' A' ' 105' ' ' PHE . 16.1 m-85 -98.42 150.52 21.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -134.85 156.43 48.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.559 ' SG ' ' CE3' ' A' ' 44' ' ' TRP . 1.8 m -144.51 145.32 31.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -139.68 120.56 14.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.465 HG22 ' HA ' ' A' ' 42' ' ' ILE . 85.3 t -127.49 104.37 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.776 HG23 ' HB2' ' A' ' 100' ' ' PHE . 6.2 m -94.2 118.68 31.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -108.54 164.06 12.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.473 ' N ' ' HD3' ' A' ' 97' ' ' LYS . 11.2 mmtt -55.89 -49.7 72.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -65.02 -70.19 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -137.33 168.66 19.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.776 ' HB2' HG23 ' A' ' 95' ' ' THR . 2.0 t80 -116.43 128.17 55.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -122.7 149.46 44.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 79.5 p -145.37 139.07 26.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 50.6 m -140.35 165.62 26.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 37.5 m -142.12 164.27 30.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.651 ' CZ ' ' CB ' ' A' ' 90' ' ' TYR . 30.9 p90 -146.48 -175.67 4.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -128.68 124.7 36.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.597 HD22 ' O ' ' A' ' 17' ' ' GLY . 2.7 tm? -111.01 135.39 51.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.65 ' CB ' HG23 ' A' ' 18' ' ' THR . 38.2 mt-10 -115.11 144.46 43.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 1.011 HG23 ' HB2' ' A' ' 87' ' ' ALA . 20.6 t -124.77 116.99 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.468 ' O ' HG23 ' A' ' 21' ' ' VAL . 21.4 m170 -103.02 141.57 35.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.406 ' O ' ' HD2' ' A' ' 20' ' ' LYS . 13.2 mt-10 -62.11 128.67 37.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.0 t -79.44 105.62 10.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 70.7 p -98.92 -53.46 3.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 127.87 107.41 1.4 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.516 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 26.7 p -94.98 158.66 15.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 0.0 111.164 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 44.1 p -54.14 146.4 30.59 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.537 0.684 . . . . 0.0 111.17 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 112.65 3.13 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.253 . . . . 0.0 112.35 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -64.68 169.97 4.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 66.8 mt -126.26 129.45 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -106.2 159.41 16.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.2 m -63.6 150.3 44.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -38.0 100.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -179.72 3.11 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.357 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 39.5 t -59.81 -60.76 3.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 60.0 p -124.6 152.92 42.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.466 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -108.67 -57.22 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.905 0.383 . . . . 0.0 110.873 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.8 p -146.65 155.6 42.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.43 124.48 6.44 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.464 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 m -50.12 178.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.369 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -113.0 86.36 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.52 130.87 6.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.591 ' H ' HD12 ' A' ' 8' ' ' ILE . 4.9 mp -76.15 122.53 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.639 HD22 ' C ' ' A' ' 99' ' ' LYS . 23.2 tp -60.25 -51.78 68.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.51 ' CZ ' ' HB1' ' A' ' 29' ' ' ALA . 2.2 t80 -73.92 82.9 1.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.919 HD11 ' HD2' ' A' ' 32' ' ' LYS . 73.4 mt -33.97 -75.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.442 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 3.3 tp10 -98.48 156.95 16.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -132.32 128.06 21.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.544 0.688 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 107.49 1.88 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 16' ' ' GLY . 81.1 mm-40 -82.12 39.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 15' ' ' GLN . . . 37.94 -158.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.513 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.585 ' O ' HD22 ' A' ' 107' ' ' LEU . . . 174.22 -156.44 23.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.438 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.569 HG23 ' CB ' ' A' ' 108' ' ' GLU . 3.6 m -137.96 118.97 14.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.835 0.35 . . . . 0.0 111.175 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.8 p -115.55 141.88 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HD2' ' C ' ' A' ' 111' ' ' GLU . 1.1 tppp? -74.09 156.04 37.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 110' ' ' HIS . 62.7 t -62.59 123.95 16.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.54 -17.17 57.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.47 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -76.08 -176.6 3.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.869 -179.862 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.735 ' OD2' HG23 ' A' ' 80' ' ' ILE . 3.4 m-20 -131.16 132.38 44.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.429 ' CG1' ' N ' ' A' ' 26' ' ' THR . 10.4 tt -129.16 157.63 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.429 ' N ' ' CG1' ' A' ' 25' ' ' ILE . 5.2 m -138.06 138.08 38.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -108.17 145.21 34.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.414 HD13 ' HG2' ' A' ' 76' ' ' GLU . 36.6 mm -103.41 147.33 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.129 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.51 ' HB1' ' CZ ' ' A' ' 10' ' ' PHE . . . -159.61 115.18 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -109.61 148.35 31.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.564 ' O ' HG13 ' A' ' 72' ' ' VAL . 98.4 t -134.55 138.65 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.919 ' HD2' HD11 ' A' ' 11' ' ' ILE . 8.6 tptt -76.63 132.91 39.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.769 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -132.6 155.57 48.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -127.88 -45.15 1.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -97.94 117.43 32.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.0 mt -56.89 -46.19 82.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 mt -54.6 -42.54 71.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.8 mmp_? -76.03 124.03 26.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -125.87 116.92 24.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.552 0.691 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 162.47 41.96 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.697 2.265 . . . . 0.0 112.36 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.1 m -120.54 140.44 51.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.1 tt -119.59 131.23 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.439 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 3.3 tppt? -130.3 115.85 17.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.662 ' HB3' HD12 ' A' ' 52' ' ' LEU . 34.8 m95 -84.67 135.25 34.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.439 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 52.1 m-85 -129.5 155.95 44.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.913 ' HB2' HD21 ' A' ' 52' ' ' LEU . 3.2 tttt -140.14 162.54 35.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.48 -127.25 43.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.509 ' HG2' ' CE2' ' A' ' 49' ' ' TRP . 19.7 ttmt -104.07 -58.4 1.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.328 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.509 ' CE2' ' HG2' ' A' ' 48' ' ' LYS . 5.2 m95 -127.91 19.31 6.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.879 ' HE1' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -77.74 129.09 35.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.492 ' N ' ' SD ' ' A' ' 50' ' ' MET . 23.5 t70 -107.39 112.38 25.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.913 HD21 ' HB2' ' A' ' 46' ' ' LYS . 15.8 mt -65.06 -32.38 74.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.475 ' HB3' ' OD2' ' A' ' 51' ' ' ASP . . . -48.6 -34.33 11.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.4 t -77.14 -31.17 55.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm -72.09 -26.13 62.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.47 114.67 2.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.28 -76.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -120.2 -38.75 2.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.771 0.32 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 80' ' ' ILE . 85.5 m-70 -81.3 -35.06 31.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.83 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.588 HD21 ' CD2' ' A' ' 62' ' ' LEU . 5.2 tt -127.67 142.0 51.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -140.12 117.18 11.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.588 ' CD2' HD21 ' A' ' 60' ' ' LEU . 14.3 mt -83.38 164.9 19.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -137.87 154.53 49.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -152.69 132.62 13.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.46 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 4.7 t -147.78 159.1 44.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -129.69 151.02 50.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -129.04 96.25 4.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -24.85 67.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -50.66 -43.56 57.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.6 m -122.31 7.2 9.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.769 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 30.7 mtm-85 56.7 37.18 28.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 31' ' ' VAL . 86.8 t -119.84 136.36 57.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -93.53 153.63 18.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.46 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 58.9 m -137.37 108.94 6.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.15 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -107.9 133.92 51.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HG2' HD13 ' A' ' 28' ' ' ILE . 6.2 mt-10 -121.53 167.73 12.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.513 ' SD ' ' CG1' ' A' ' 79' ' ' ILE . 9.9 tmm? -140.01 106.2 5.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -93.24 133.16 36.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.513 ' CG1' ' SD ' ' A' ' 77' ' ' MET . 2.0 mt -121.82 107.27 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.735 HG23 ' OD2' ' A' ' 24' ' ' ASP . 1.6 mp -92.75 131.82 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.8 mttt 66.37 49.06 1.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.09 105.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.6 mttp -82.32 165.58 20.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -60.68 -15.1 25.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.425 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 2.5 m-80 -84.98 -5.22 59.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -86.98 -11.38 50.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.08 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -82.93 112.34 19.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -178.35 -149.15 7.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.522 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -105.83 118.7 37.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.578 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 8.9 m-85 -98.14 168.63 10.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -148.59 139.14 22.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 47.0 t -116.99 126.34 52.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.437 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 14.7 mp0 -123.36 122.96 39.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 62.6 t -139.28 119.63 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.8 m -103.72 157.36 17.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.462 ' O ' ' C ' ' A' ' 97' ' ' LYS . 6.2 t80 -149.84 176.87 10.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 96' ' ' TYR . 25.9 mtpt -33.3 -71.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -132.75 26.5 4.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.639 ' C ' HD22 ' A' ' 9' ' ' LEU . 2.2 mmmm -137.57 124.48 21.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -143.16 126.75 16.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -144.91 133.92 22.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.4 p -118.44 140.75 49.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 18.9 p -133.76 139.31 46.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 90.3 p -112.9 140.26 47.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 90' ' ' TYR . 2.0 p90 -124.11 -177.45 3.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.87 126.18 44.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.585 HD22 ' O ' ' A' ' 17' ' ' GLY . 2.6 tm? -115.13 127.12 55.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.569 ' CB ' HG23 ' A' ' 18' ' ' THR . 15.6 mm-40 -110.45 157.0 20.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 1.08 HG23 ' HB2' ' A' ' 87' ' ' ALA . 21.5 t -133.57 121.81 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.459 ' O ' HG23 ' A' ' 21' ' ' VAL . 21.5 m170 -103.29 146.13 28.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.4 ' C ' ' HD2' ' A' ' 20' ' ' LYS . 27.9 mt-10 -67.81 123.07 19.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 31.0 t -67.16 -57.43 6.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 28.6 p -50.08 119.88 3.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -70.24 101.42 0.89 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 25.3 p -137.55 167.52 21.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.352 . . . . 0.0 111.159 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 38.5 p -71.98 142.09 84.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.708 . . . . 0.0 111.131 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -176.63 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -143.05 165.46 27.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 41.5 mt -97.37 116.17 39.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -93.34 114.49 26.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 99.0 p -79.61 142.5 35.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -98.48 153.04 19.87 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.532 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 174.06 10.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.661 2.24 . . . . 0.0 112.34 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.4 t -131.8 -179.87 5.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.3 t 39.69 45.15 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.443 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 m -111.54 166.44 11.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 m -111.21 174.52 5.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.18 124.48 1.08 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.1 m -113.0 175.35 5.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.885 0.374 . . . . 0.0 110.848 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.6 p -86.95 140.94 29.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.87 154.17 26.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.513 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.3 mt -139.12 122.39 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 111.143 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 9' ' ' LEU . 4.4 mm? -97.12 150.39 20.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.729 ' HD1' HG22 ' A' ' 31' ' ' VAL . 0.8 OUTLIER 66.08 54.57 0.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.472 ' C ' ' O ' ' A' ' 10' ' ' PHE . 17.0 mm -31.42 -66.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -99.04 157.1 16.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -126.65 143.17 45.5 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.578 0.704 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 97.64 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.643 2.228 . . . . 0.0 112.363 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -73.63 108.61 6.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.88 169.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.71 ' O ' HD22 ' A' ' 107' ' ' LEU . . . -161.47 -162.64 13.14 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.428 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.573 HG23 ' CB ' ' A' ' 108' ' ' GLU . 6.6 m -131.18 113.76 14.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.827 0.346 . . . . 0.0 111.15 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.0 p -109.36 139.66 31.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.435 ' HB3' ' CD ' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -73.6 149.61 41.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.7 t -59.04 119.0 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.34 -17.03 57.44 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.416 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.501 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 0.9 OUTLIER -78.89 -177.56 5.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -179.873 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.64 130.28 48.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.858 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.8 tt -129.85 152.68 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.5 m -137.91 141.23 40.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -110.17 141.92 42.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.465 HD13 ' HG2' ' A' ' 76' ' ' GLU . 33.9 mm -101.61 135.89 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -147.05 113.34 5.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -108.04 151.4 25.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.729 HG22 ' HD1' ' A' ' 10' ' ' PHE . 13.2 t -137.98 137.28 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -75.94 127.11 32.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -124.28 164.26 19.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -128.93 -45.47 1.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -96.75 124.16 40.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.4 mt -59.4 -44.76 92.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mt -60.7 -54.56 43.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.8 mmp_? -56.7 124.36 18.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.439 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 29.6 ttmt -127.54 119.29 21.6 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.568 0.699 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 172.24 13.01 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.713 2.275 . . . . 0.0 112.33 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.2 m -129.32 131.49 46.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.119 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.535 ' HA ' HG22 ' A' ' 94' ' ' VAL . 6.9 tt -114.2 123.9 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.139 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -119.64 118.05 29.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -85.74 147.24 26.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 91' ' ' ARG . 55.3 m-85 -142.24 160.63 39.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.848 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.714 ' HB2' HD21 ' A' ' 52' ' ' LEU . 13.1 tmtt? -146.35 145.56 30.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.466 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 69.07 -133.56 26.63 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.486 ' HD3' ' NE1' ' A' ' 49' ' ' TRP . 0.1 OUTLIER -103.86 -51.17 3.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.759 0.314 . . . . 0.0 110.885 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.486 ' NE1' ' HD3' ' A' ' 48' ' ' LYS . 15.1 m95 -115.06 -33.83 5.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.8 ttp -44.14 121.8 2.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.569 ' OD2' ' HB3' ' A' ' 53' ' ' ALA . 10.5 t0 -113.45 112.94 24.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.823 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.714 HD21 ' HB2' ' A' ' 46' ' ' LYS . 36.2 mt -56.55 -38.58 72.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.569 ' HB3' ' OD2' ' A' ' 51' ' ' ASP . . . -45.11 -46.96 12.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.4 t -74.68 -28.23 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -71.49 -29.49 64.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.737 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -56.33 122.41 11.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -179.71 -53.41 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.437 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -129.06 -72.07 0.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 80' ' ' ILE . 94.9 m-70 -65.32 -15.27 62.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.737 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.5 tp -133.63 144.53 49.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.407 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 9.3 mm-40 -148.51 122.82 9.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.605 HD23 ' HG2' ' A' ' 77' ' ' MET . 16.2 mt -91.34 164.57 13.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -139.06 153.05 48.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -152.53 136.01 15.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.476 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 6.6 t -144.88 165.72 27.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.135 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.508 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 47.2 t80 -132.97 140.81 47.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -125.05 94.22 4.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.43 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -63.96 -27.93 69.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -44.27 -49.31 9.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.0 m -120.65 8.31 10.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.525 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 10.5 mtt85 56.8 51.67 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.928 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 31' ' ' VAL . 52.3 t -130.09 129.82 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.508 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 70.8 m-85 -93.35 135.31 34.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.476 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 91.3 m -121.39 116.3 24.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.168 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.466 ' CE1' ' HB3' ' A' ' 73' ' ' TYR . 15.1 m-85 -115.16 128.37 56.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.465 ' HG2' HD13 ' A' ' 28' ' ' ILE . 4.4 mt-10 -115.35 168.6 9.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.605 ' HG2' HD23 ' A' ' 62' ' ' LEU . 12.0 tmm? -141.53 105.05 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -87.43 139.87 30.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.566 HG12 HD12 ' A' ' 60' ' ' LEU . 2.2 mt -127.27 100.15 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.673 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.2 mp -86.87 143.23 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.8 mttm 49.67 48.79 21.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.74 117.89 2.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.2 mttm -93.18 166.78 12.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.59 -25.15 59.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -72.5 -16.37 61.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.464 ' O ' HD12 ' A' ' 107' ' ' LEU . 3.5 m-85 -78.07 -9.16 59.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.974 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -88.06 122.59 31.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 163.49 -152.68 22.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -92.0 128.12 37.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -108.95 136.24 48.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 45' ' ' PHE . 5.8 ttt180 -128.42 139.17 52.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 41.8 t -129.2 159.1 37.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -148.39 119.25 7.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.535 HG22 ' HA ' ' A' ' 42' ' ' ILE . 73.3 t -126.84 110.18 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.895 HG23 ' HB2' ' A' ' 100' ' ' PHE . 5.2 m -102.67 127.6 49.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -116.04 162.19 17.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -53.83 -42.69 68.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -72.07 -70.8 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -137.82 168.23 20.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.895 ' HB2' HG23 ' A' ' 95' ' ' THR . 1.7 t80 -113.3 133.88 54.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.419 ' CG ' ' HB2' ' A' ' 10' ' ' PHE . 3.1 p30 -116.38 153.21 32.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 79.4 p -148.64 134.51 19.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 11.2 m -152.59 135.36 15.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 98.8 p -115.63 152.5 33.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.443 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 2.2 p90 -136.93 -175.21 3.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.34 139.72 52.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.71 HD22 ' O ' ' A' ' 17' ' ' GLY . 3.4 tm? -125.44 127.76 47.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.573 ' CB ' HG23 ' A' ' 18' ' ' THR . 21.3 mt-10 -107.99 151.82 25.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.974 HG23 ' HB2' ' A' ' 87' ' ' ALA . 23.5 t -132.08 119.65 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -103.17 143.39 32.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -61.83 127.78 33.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.9 t -77.59 -30.55 52.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.3 t -81.33 -3.97 54.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.127 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -121.18 92.55 0.5 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.519 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 40.3 p -140.36 151.47 45.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.807 0.337 . . . . 0.0 111.167 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.7 p -60.67 143.0 91.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.577 0.703 . . . . 0.0 111.154 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 166.94 26.0 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.698 2.265 . . . . 0.0 112.296 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -72.52 178.83 3.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 44.7 mm -70.82 132.93 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.164 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -86.34 169.71 12.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 24.7 p -59.72 140.53 56.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -82.58 -156.63 20.21 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -177.09 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.712 2.275 . . . . 0.0 112.347 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 58.5 p -144.92 148.28 33.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 73.9 m -46.85 142.48 3.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 t -44.23 -49.27 9.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.2 t -91.05 120.65 32.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.824 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.39 -159.98 30.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.452 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 t -115.82 126.37 53.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 0.0 110.849 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 m -139.47 156.34 47.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.19 79.91 0.21 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.6 mp -120.77 114.4 43.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.366 . . . . 0.0 111.125 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.456 HD22 ' CB ' ' A' ' 99' ' ' LYS . 5.4 tp -112.88 75.68 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.96 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.463 ' CD2' ' O ' ' A' ' 12' ' ' GLU . 1.4 t80 -153.39 116.17 4.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.66 HD11 ' HD3' ' A' ' 32' ' ' LYS . 29.7 mm -61.72 -75.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.463 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 2.1 tp10 -99.92 159.12 15.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -128.98 131.05 23.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.583 0.706 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 82.7 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.694 2.263 . . . . 0.0 112.344 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -70.24 102.87 2.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.03 164.7 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.92 -143.97 3.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.495 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.59 HG23 ' CB ' ' A' ' 108' ' ' GLU . 6.0 m -142.73 118.91 10.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 111.169 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.8 p -116.19 144.89 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -76.28 153.75 35.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 110' ' ' HIS . 54.5 t -61.76 120.4 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.95 -15.92 61.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.465 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.3 179.04 6.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.902 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -126.07 122.87 37.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.9 tt -123.09 151.67 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.8 m -134.77 142.16 46.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -110.22 142.39 41.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.483 HD13 ' HG2' ' A' ' 76' ' ' GLU . 34.3 mm -101.94 138.78 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.3 114.9 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.094 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -115.91 156.23 26.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.444 ' CG1' ' HB2' ' A' ' 73' ' ' TYR . 9.8 p -141.94 138.18 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.143 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.66 ' HD3' HD11 ' A' ' 11' ' ' ILE . 3.3 tptm -77.41 117.6 19.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -115.16 152.78 31.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -116.69 -47.28 2.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -89.73 160.67 16.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.8 mt -104.53 -41.87 5.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.507 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.1 mm? -56.46 -30.87 63.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -96.55 142.77 28.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -134.07 121.44 15.68 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.557 0.694 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 118.29 5.59 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.655 2.236 . . . . 0.0 112.356 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.4 m -83.07 135.69 34.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.182 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.443 ' O ' HG23 ' A' ' 42' ' ' ILE . 7.9 tt -115.28 125.41 72.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -120.4 117.41 27.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.938 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -83.94 144.17 29.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.969 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.46 ' CE1' ' OD1' ' A' ' 51' ' ' ASP . 52.2 m-85 -140.05 164.52 29.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER -159.79 145.95 15.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.468 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 76.64 -131.38 11.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -104.31 -53.84 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.409 ' CD1' ' N ' ' A' ' 49' ' ' TRP . 0.8 OUTLIER -122.18 -25.95 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.427 ' CE ' HD23 ' A' ' 52' ' ' LEU . 6.7 ttp -43.19 129.54 4.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.46 ' OD1' ' CE1' ' A' ' 45' ' ' PHE . 42.0 t0 -117.82 106.63 13.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.427 HD23 ' CE ' ' A' ' 50' ' ' MET . 35.8 mt -53.42 -32.74 51.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -46.58 -53.74 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.28 -11.96 60.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -83.56 -32.4 25.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.728 ' N ' HD23 ' A' ' 60' ' ' LEU . . . -60.7 114.17 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.091 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 161.37 -34.88 0.39 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -100.94 -72.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.415 ' O ' ' O ' ' A' ' 80' ' ' ILE . 33.9 m80 -112.45 7.05 18.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.728 HD23 ' N ' ' A' ' 56' ' ' ALA . 4.9 tp -131.28 145.64 51.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 78' ' ' GLN . 58.0 mm-40 -149.42 124.16 9.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.2 mt -96.31 165.59 12.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -139.98 149.84 43.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -151.81 129.82 11.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.463 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 13.1 t -144.36 159.2 43.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.558 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 44.4 t80 -125.54 146.58 49.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -129.51 92.23 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -33.46 71.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -39.23 -43.2 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.5 p -123.4 2.36 9.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 15.6 mtt85 62.2 43.5 8.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 31' ' ' VAL . 71.5 t -126.86 138.59 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 66' ' ' PHE . 67.3 m-85 -98.22 145.69 26.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.463 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 11.0 m -127.41 107.87 10.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 73' ' ' TYR . 9.0 m-85 -109.52 124.67 51.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.483 ' HG2' HD13 ' A' ' 28' ' ' ILE . 10.9 mt-10 -113.71 165.33 12.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 35.3 ttp -135.05 100.41 4.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' GLN . 2.4 tt0 -84.53 133.01 34.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.48 HG12 HD12 ' A' ' 60' ' ' LEU . 2.2 mt -123.76 103.82 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.645 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.3 mp -89.51 147.62 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 32.2 mttt 44.62 51.41 8.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.12 106.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 45.7 mttt -79.73 158.39 26.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.966 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.419 ' HA ' HG11 ' A' ' 109' ' ' VAL . 13.2 m-20 -56.16 -17.59 7.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -80.01 -21.65 43.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.405 ' CE2' HG23 ' A' ' 79' ' ' ILE . 5.0 m-85 -66.28 -5.93 12.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.647 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -85.69 127.59 34.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 166.04 -148.72 14.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -105.73 119.57 39.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.401 ' CE1' ' HB3' ' A' ' 107' ' ' LEU . 6.5 m-85 -98.71 157.21 16.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -151.64 127.09 10.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 13.2 p -112.26 146.82 37.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -128.07 120.2 26.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 94' ' ' VAL . 9.6 p -116.71 107.54 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.2 p -97.65 157.19 16.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.46 ' O ' ' C ' ' A' ' 97' ' ' LYS . 5.3 t80 -157.57 178.12 10.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 96' ' ' TYR . 28.0 mtpt -32.83 -74.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -133.71 24.35 4.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.804 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.456 ' CB ' HD22 ' A' ' 9' ' ' LEU . 55.7 mttt -138.3 112.7 8.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -124.27 139.44 53.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.419 ' HB2' ' CG1' ' A' ' 94' ' ' VAL . 32.3 m-20 -129.97 157.22 42.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 55.4 p -143.78 123.02 12.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 62.4 m -123.94 162.42 23.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 90.4 p -139.73 139.41 36.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.581 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 0.1 OUTLIER -133.18 162.27 32.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -111.69 124.73 52.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.65 HD13 ' C ' ' A' ' 107' ' ' LEU . 3.2 tm? -110.36 129.47 55.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.59 ' CB ' HG23 ' A' ' 18' ' ' THR . 27.5 mt-10 -109.28 151.02 27.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.647 HG23 ' HB2' ' A' ' 87' ' ' ALA . 39.7 t -130.06 117.99 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.423 ' O ' HG23 ' A' ' 21' ' ' VAL . 20.0 m170 -103.26 144.7 31.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -63.83 130.26 43.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.3 t -82.12 16.79 1.82 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 72.6 p -112.21 137.9 49.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 126.76 146.1 6.44 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 50.3 p -93.95 158.87 15.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 111.101 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 61.1 p -57.92 140.71 81.63 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.542 0.686 . . . . 0.0 111.177 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 103.09 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -49.26 153.84 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 24.2 mt -118.36 141.43 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -48.07 105.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.6 m -135.56 159.34 41.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -96.97 128.76 9.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 127.59 14.81 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 89.4 p -66.38 -43.17 86.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.0 t -119.83 110.57 16.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.491 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 p -80.83 162.96 23.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.895 0.379 . . . . 0.0 110.845 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 m -154.25 164.55 38.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.24 -55.14 0.23 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.44 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 t -44.21 116.22 0.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.928 0.394 . . . . 0.0 110.864 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.3 p -132.57 119.78 20.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.07 101.77 0.84 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.458 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp -148.78 170.63 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.75 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -104.07 -43.8 5.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -52.78 89.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.556 HG23 ' N ' ' A' ' 12' ' ' GLU . 2.2 tp -72.77 -47.58 49.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.556 ' N ' HG23 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -89.68 144.54 25.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.493 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 13.2 mmmt -128.5 114.94 19.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.606 0.717 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 97.43 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.311 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' A' ' 13' ' ' LYS . 19.0 mp0 -78.93 115.5 18.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.0 159.77 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.11 -157.69 7.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.518 HG23 ' HB3' ' A' ' 108' ' ' GLU . 4.4 m -137.41 114.82 11.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 111.088 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.8 p -111.51 142.99 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -76.28 150.69 36.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.0 t -59.48 114.88 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.149 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.24 -11.12 60.11 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -81.93 177.25 8.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -122.63 119.78 31.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.7 tt -116.46 153.96 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 m -136.39 132.58 35.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -109.23 133.43 53.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.59 HD13 ' HG2' ' A' ' 76' ' ' GLU . 28.6 mm -91.91 127.84 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.34 112.03 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.42 ' HG3' ' CG1' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -128.09 156.48 42.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.817 ' O ' HG13 ' A' ' 72' ' ' VAL . 2.3 p -121.86 147.34 25.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -78.86 111.91 15.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -109.6 153.28 24.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -124.18 -47.63 1.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -85.72 140.28 30.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.8 mt -82.08 -50.35 9.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 mt -47.75 -41.37 23.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -83.38 154.43 24.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -146.58 119.88 5.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.556 ' HD2' ' CE1' ' A' ' 73' ' ' TYR . 54.0 Cg_endo -69.73 166.0 29.02 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.431 ' O ' HG23 ' A' ' 94' ' ' VAL . 90.8 m -138.34 133.95 33.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.588 HD11 ' SG ' ' A' ' 92' ' ' CYS . 9.2 tt -104.2 153.65 6.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.567 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -143.56 123.29 13.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -97.72 131.07 44.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.961 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.567 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 54.1 m-85 -126.59 157.47 38.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.8 ' HB2' HD21 ' A' ' 52' ' ' LEU . 22.0 tptm -135.95 147.08 47.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.92 -131.3 42.94 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 tttt -103.85 -49.48 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.747 0.308 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 19.3 m95 -116.51 -35.04 4.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.423 ' HE2' HD23 ' A' ' 52' ' ' LEU . 2.1 ttp -42.3 113.9 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -104.13 118.21 36.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.8 HD21 ' HB2' ' A' ' 46' ' ' LYS . 38.5 mt -65.3 -41.49 94.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -42.78 -34.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.0 t -85.34 -29.7 24.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' LEU . 65.7 mmtt -71.58 -28.62 63.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.731 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -54.36 109.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -157.88 -62.26 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.518 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -126.11 -58.4 1.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.334 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 80' ' ' ILE . 87.2 m-70 -71.02 -18.67 62.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.731 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.2 tp -132.61 145.65 51.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.4 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 27.0 mm-40 -148.55 124.52 10.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.5 mt -93.15 158.12 15.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -135.21 147.3 49.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -149.99 132.85 16.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.508 HG22 ' O ' ' A' ' 74' ' ' THR . 11.2 t -146.37 152.78 39.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.558 ' HB2' ' CD2' ' A' ' 73' ' ' TYR . 31.8 t80 -119.57 139.57 51.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -121.86 88.68 2.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.458 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -53.61 -27.45 26.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -52.79 -34.55 53.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.802 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.3 m -124.61 -6.48 7.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.823 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.497 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 21.6 mtt180 64.67 47.44 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.817 HG13 ' O ' ' A' ' 31' ' ' VAL . 87.4 t -139.04 131.03 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.076 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.562 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 34.8 m-85 -89.63 121.24 31.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.508 ' O ' HG22 ' A' ' 65' ' ' THR . 34.7 m -97.48 103.92 15.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 73' ' ' TYR . 14.7 m-85 -100.78 136.52 40.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.59 ' HG2' HD13 ' A' ' 28' ' ' ILE . 15.5 mt-10 -126.94 166.81 16.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 48.1 ttp -134.94 99.04 4.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.32 111.21 20.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.536 HG12 HD12 ' A' ' 60' ' ' LEU . 2.7 mt -103.03 108.03 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.612 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.3 mp -92.92 147.44 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.5 mttt 44.63 52.07 7.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.23 124.42 17.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.065 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -99.6 175.96 5.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.13 -7.7 13.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -90.25 -15.57 31.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.405 ' CD2' ' CG2' ' A' ' 79' ' ' ILE . 3.0 m-85 -81.15 -6.42 58.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.027 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -98.13 113.14 24.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 179.31 -136.56 2.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.512 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -109.95 115.09 29.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.569 ' CE1' ' HD3' ' A' ' 46' ' ' LYS . 7.1 m-85 -95.88 151.82 19.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.466 ' NH1' ' CB ' ' A' ' 104' ' ' SER . 0.1 OUTLIER -137.63 121.35 17.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.588 ' SG ' HD11 ' A' ' 42' ' ' ILE . 36.9 t -111.28 138.67 47.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -139.04 123.04 17.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 94' ' ' VAL . 7.1 p -129.26 106.32 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.788 HG23 ' HB2' ' A' ' 100' ' ' PHE . 3.3 m -93.17 124.57 37.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -114.56 169.32 9.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -60.17 -49.06 79.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -63.84 -72.6 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -136.99 168.36 19.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.788 ' HB2' HG23 ' A' ' 95' ' ' THR . 2.4 t80 -113.11 126.74 55.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -117.4 153.81 32.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.0 t -147.73 158.28 43.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 30.3 p -155.95 161.86 40.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.466 ' CB ' ' NH1' ' A' ' 91' ' ' ARG . 91.2 p -139.96 157.11 46.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.555 ' CD2' ' HB2' ' A' ' 90' ' ' TYR . 1.0 OUTLIER -156.25 -178.09 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -131.08 134.6 46.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.845 HD23 ' N ' ' A' ' 108' ' ' GLU . 2.7 tt -113.61 143.24 44.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.845 ' N ' HD23 ' A' ' 107' ' ' LEU . 4.0 mm-40 -119.39 153.15 35.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 1.027 HG23 ' HB2' ' A' ' 87' ' ' ALA . 66.2 t -134.71 121.83 36.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.173 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -103.34 144.43 31.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -63.78 127.82 33.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.5 t -74.98 102.47 4.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 29.1 m -157.97 135.57 10.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.182 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -39.81 146.69 0.24 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 26.9 m -126.71 135.2 50.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.847 0.356 . . . . 0.0 111.14 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 33.8 p -75.35 149.98 84.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 111.127 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 177.31 5.74 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.703 2.269 . . . . 0.0 112.291 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -132.57 176.4 8.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 71.6 mt -93.28 118.93 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.97 174.71 10.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 55.4 m -100.4 166.48 10.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -96.26 167.59 25.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.509 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 101.25 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.6 t -90.86 163.01 14.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.0 t -56.37 163.2 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.448 -179.948 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 m -97.78 102.28 13.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.3 m -60.93 140.95 57.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.817 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.24 41.84 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.523 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -86.92 94.97 9.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 0.0 110.784 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -93.33 -58.11 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.825 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.82 134.82 3.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.0 mt -111.21 99.79 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 0.0 111.136 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 11' ' ' ILE . 11.2 mp -41.29 -50.49 3.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.451 ' CD2' ' O ' ' A' ' 12' ' ' GLU . 0.3 OUTLIER -60.12 79.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 9' ' ' LEU . 7.9 tt -55.76 -35.58 40.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.451 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.1 tp10 -114.75 155.56 26.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -143.99 140.18 16.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.618 0.723 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 118.37 5.64 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.716 2.278 . . . . 0.0 112.317 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -89.98 20.49 4.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 41.94 -160.78 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.439 ' O ' HD22 ' A' ' 107' ' ' LEU . . . 172.04 -151.04 13.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.497 HG23 ' CB ' ' A' ' 108' ' ' GLU . 6.1 m -141.1 118.84 11.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 111.161 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.9 p -112.35 139.28 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.156 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.3 154.38 38.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.5 t -61.46 119.58 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.91 -17.26 59.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.9 -175.43 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -131.75 122.15 25.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.6 tt -121.29 153.5 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 m -135.26 129.34 33.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -98.8 151.86 20.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.3 mm -115.13 135.73 54.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -158.68 113.43 2.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -113.16 169.73 8.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.62 ' O ' HG13 ' A' ' 72' ' ' VAL . 10.4 p -143.0 140.46 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -75.89 118.8 19.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -117.53 159.2 23.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -123.31 -47.75 1.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.45 159.82 17.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.6 mt -105.06 -44.64 4.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.452 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.5 mm? -50.08 -40.52 45.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.1 mmt-85 -87.95 151.53 22.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.444 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 31.4 ttmt -144.23 122.01 6.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.553 0.692 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 173.85 10.41 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.637 2.224 . . . . 0.0 112.365 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.0 m -136.69 139.73 42.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.149 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.458 HG21 ' HB3' ' A' ' 75' ' ' PHE . 14.8 tt -115.4 128.16 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.599 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 2.9 tppp? -121.32 116.54 25.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.604 ' CE3' ' SG ' ' A' ' 92' ' ' CYS . 57.5 m95 -86.11 132.2 34.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.599 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 49.4 m-85 -126.81 149.41 49.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.759 ' HB2' HD21 ' A' ' 52' ' ' LEU . 20.0 tptp -125.52 142.46 51.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.97 -130.98 39.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.504 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.445 ' HG2' ' CD1' ' A' ' 49' ' ' TRP . 12.2 ttpt -104.35 -52.78 2.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.445 ' CD1' ' HG2' ' A' ' 48' ' ' LYS . 16.7 m95 -109.47 -37.5 5.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -42.48 116.59 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.415 ' OD2' ' HB3' ' A' ' 53' ' ' ALA . 15.0 t70 -108.76 116.49 32.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.759 HD21 ' HB2' ' A' ' 46' ' ' LYS . 54.8 mt -62.05 -43.27 99.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.454 ' CB ' ' HD2' ' A' ' 43' ' ' LYS . . . -41.95 -34.69 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.0 t -85.85 -27.32 25.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 52' ' ' LEU . 35.2 mmtm -75.26 -29.76 60.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.672 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -55.54 110.43 0.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -153.74 -62.25 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.521 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm -131.05 -50.32 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -74.04 -23.88 59.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.672 HD23 ' CA ' ' A' ' 56' ' ' ALA . 3.3 tp -127.47 146.47 50.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.419 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 35.7 mm-40 -149.08 126.41 11.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.2 mt -94.54 165.46 12.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -141.06 145.98 36.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -152.01 126.93 9.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.477 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 15.3 t -141.2 163.92 31.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.558 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 28.0 t80 -127.87 143.26 51.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -122.23 92.86 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.4 ' HA ' ' CZ ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -60.0 -26.52 66.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -54.56 -36.25 64.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 t -123.23 -1.56 8.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.688 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 19.0 mtt180 62.51 35.05 14.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 31' ' ' VAL . 81.3 t -126.03 140.62 48.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 66' ' ' PHE . 58.7 m-85 -96.06 148.99 22.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.477 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 28.6 m -124.06 103.85 8.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.458 ' HB3' HG21 ' A' ' 42' ' ' ILE . 10.0 m-85 -100.08 135.53 41.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -132.22 164.48 26.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 43.1 ttp -134.97 99.1 4.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -85.13 108.33 17.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.483 HG12 HD12 ' A' ' 60' ' ' LEU . 2.4 mt -100.67 114.42 39.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.4 mp -99.47 137.62 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 47.2 mttt 55.42 49.08 17.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.36 113.38 0.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -90.01 167.77 12.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.26 -16.77 15.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -80.53 -15.09 57.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -81.08 -11.26 59.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.021 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -86.04 128.68 34.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.059 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 159.19 -139.76 6.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -111.62 129.12 56.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.594 ' CB ' ' CZ ' ' A' ' 105' ' ' PHE . 5.3 m-85 -106.57 162.67 13.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -148.15 127.96 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.604 ' SG ' ' CE3' ' A' ' 44' ' ' TRP . 10.6 m -116.11 150.01 38.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -144.25 121.32 11.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.8 t -124.09 107.97 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.819 HG23 ' HB2' ' A' ' 100' ' ' PHE . 3.7 m -100.33 109.09 21.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -104.21 152.52 22.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 97' ' ' LYS . 24.1 mmtt -44.85 -49.08 11.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -62.87 -70.94 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.446 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 70.1 mmtt -138.48 167.71 21.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.819 ' HB2' HG23 ' A' ' 95' ' ' THR . 2.7 t80 -119.15 123.12 43.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -125.81 146.77 49.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.8 p -138.27 164.73 28.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 14.8 p -158.27 164.1 36.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 60.7 p -137.3 147.11 45.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.594 ' CZ ' ' CB ' ' A' ' 90' ' ' TYR . 41.0 p90 -134.91 -175.02 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.846 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -128.07 133.39 49.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.524 HD13 ' N ' ' A' ' 108' ' ' GLU . 3.2 tm? -121.62 132.58 54.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.524 ' N ' HD13 ' A' ' 107' ' ' LEU . 6.3 mm-40 -115.21 153.9 30.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 1.021 HG23 ' HB2' ' A' ' 87' ' ' ALA . 39.5 t -133.45 118.75 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -103.0 142.73 33.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.825 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -60.52 129.91 43.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 44.8 t -80.15 88.71 5.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 55.2 p -124.01 149.29 46.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -124.16 133.57 8.79 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.512 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 6.1 t -85.76 129.82 34.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 111.15 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 37.0 p -126.51 143.62 46.81 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.572 0.701 . . . . 0.0 111.104 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 96.37 0.59 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.713 2.275 . . . . 0.0 112.375 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.89 175.12 10.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.768 HD12 ' H ' ' A' ' 119' ' ' ILE . 5.2 mp -41.9 117.32 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -70.16 136.09 49.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 86.0 p -51.06 124.43 11.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -107.79 85.65 0.42 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -1.78 9.05 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.694 2.263 . . . . 0.0 112.331 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 55.3 p -38.88 -60.0 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.3 p 49.03 30.85 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 -179.964 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 m -68.76 158.42 34.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.876 0.37 . . . . 0.0 110.848 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -87.5 146.3 25.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.17 79.52 0.27 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 t -145.59 140.93 27.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.379 . . . . 0.0 110.857 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.6 p -173.63 149.69 1.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.79 152.81 7.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.77 120.3 62.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 111.122 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -102.41 -40.8 6.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.577 ' CD2' ' O ' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -91.59 78.16 5.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.464 HG23 ' N ' ' A' ' 12' ' ' GLU . 2.2 tp -45.89 -42.59 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.577 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 7.3 tp10 -114.97 158.67 21.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -140.07 130.93 14.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 113.53 3.41 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.376 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -87.24 27.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 37.89 -157.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 171.18 -156.4 26.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.474 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.636 HG23 ' CB ' ' A' ' 108' ' ' GLU . 7.1 m -138.95 115.62 10.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 0.0 111.151 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.1 p -110.25 141.72 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HB3' ' CD ' ' A' ' 23' ' ' GLU . 0.7 OUTLIER -73.97 152.41 40.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.901 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 110' ' ' HIS . 70.2 t -60.13 119.72 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.24 -17.39 59.21 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 1.6 mp0 -77.29 179.44 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.866 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -125.34 126.87 45.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.2 tt -122.97 155.56 28.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 m -138.66 137.24 36.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -108.78 146.76 33.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.8 mm -110.31 130.99 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.144 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.84 113.0 4.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -110.73 160.73 16.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.4 HG22 ' CD1' ' A' ' 10' ' ' PHE . 91.7 t -136.88 134.64 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -76.67 114.73 15.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -122.21 144.71 48.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.441 ' O ' ' CD ' ' A' ' 71' ' ' ARG . 36.3 mt-10 -109.52 -51.12 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -83.89 161.97 20.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.8 mt -104.31 -39.97 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.9 mm? -48.78 -44.84 39.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -84.67 136.21 33.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.494 ' HG2' ' CE2' ' A' ' 73' ' ' TYR . 0.5 OUTLIER -120.29 118.56 31.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 110.893 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.517 ' HD2' ' CZ ' ' A' ' 73' ' ' TYR . 53.3 Cg_endo -69.77 105.37 1.47 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.283 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.473 ' C ' HG23 ' A' ' 94' ' ' VAL . 9.5 m -85.03 129.01 34.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.6 tt -108.22 145.95 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -138.2 116.99 12.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.446 ' HB3' HD12 ' A' ' 52' ' ' LEU . 55.1 m95 -83.82 134.93 34.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.956 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -127.5 165.64 19.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.442 ' HB2' HD21 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -149.03 153.96 38.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.03 -131.93 36.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.534 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.587 ' HB3' ' CD1' ' A' ' 49' ' ' TRP . 12.9 mmtm -104.46 -51.9 3.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.75 0.309 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.587 ' CD1' ' HB3' ' A' ' 48' ' ' LYS . 1.1 m95 -133.48 38.19 3.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.7 ttp -98.96 134.42 41.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -110.12 116.29 31.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.446 HD12 ' HB3' ' A' ' 44' ' ' TRP . 79.0 mt -73.34 -40.02 64.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -41.01 -43.1 2.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.9 t -75.06 -36.96 61.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.9 mmtt -65.39 -33.15 75.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.618 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -54.38 107.8 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -146.41 -67.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.527 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.4 mtmm -126.16 -56.08 1.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.405 ' O ' ' N ' ' A' ' 80' ' ' ILE . 94.8 m-70 -66.18 -31.6 72.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.876 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.618 HD23 ' CA ' ' A' ' 56' ' ' ALA . 3.0 tp -119.78 146.31 45.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.415 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 41.5 mm-40 -149.74 126.81 11.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.455 ' CD2' ' HG3' ' A' ' 77' ' ' MET . 23.6 mt -93.6 162.92 13.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.8 tttm -136.5 146.77 46.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -151.46 131.14 13.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.479 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 7.0 t -146.32 149.83 34.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.667 ' CE1' ' CE1' ' A' ' 73' ' ' TYR . 66.2 t80 -120.37 144.5 47.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -129.84 88.95 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -50.33 -36.39 31.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.812 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 68' ' ' ARG . 1.5 m-70 -34.73 -63.23 0.32 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.3 p -102.29 -1.51 30.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.441 ' CD ' ' O ' ' A' ' 34' ' ' GLU . 17.0 mtt85 64.15 37.43 8.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 90.0 t -120.94 131.26 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.667 ' CE1' ' CE1' ' A' ' 66' ' ' PHE . 29.1 m-85 -89.65 140.62 29.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.479 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 17.8 m -121.92 110.14 15.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.127 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 73' ' ' TYR . 25.7 m-85 -111.45 136.4 50.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.454 ' OE2' ' C ' ' A' ' 75' ' ' PHE . 1.6 mp0 -130.5 167.69 18.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.455 ' HG3' ' CD2' ' A' ' 62' ' ' LEU . 44.7 ttp -134.99 101.8 5.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -87.5 110.47 20.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.524 HG12 HD12 ' A' ' 60' ' ' LEU . 3.2 mt -102.32 114.7 42.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 59' ' ' HIS . 2.3 mp -100.34 135.59 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 53.2 mttt 57.9 48.42 13.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.05 111.96 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.067 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -87.52 160.92 18.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -55.29 -20.87 12.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -74.67 -22.4 58.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -70.9 -18.02 62.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.915 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -74.36 110.29 8.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 179.06 -159.35 24.14 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.452 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -85.87 133.15 33.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.586 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 13.0 m-85 -119.58 124.7 47.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -114.85 120.99 41.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 32.1 p -105.24 129.3 53.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -134.23 117.37 16.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.473 HG23 ' C ' ' A' ' 41' ' ' THR . 2.9 p -135.67 112.16 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.522 ' HA ' ' CB ' ' A' ' 100' ' ' PHE . 31.3 m -93.47 155.53 17.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.587 ' CE2' ' HD2' ' A' ' 97' ' ' LYS . 15.5 t80 -116.99 -73.67 0.63 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.587 ' HD2' ' CE2' ' A' ' 96' ' ' TYR . 32.4 mtpt -120.27 -76.94 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.92 -46.99 2.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm -107.3 120.92 43.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.522 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 11.3 p90 -121.33 170.74 9.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -134.86 114.69 12.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.8 p -104.66 170.47 7.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 2.0 t -148.02 176.81 9.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 84.2 p -141.81 137.51 31.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.586 ' CZ ' ' HB3' ' A' ' 90' ' ' TYR . 5.0 p90 -137.8 154.13 49.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -106.24 131.65 53.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.615 HD13 ' C ' ' A' ' 107' ' ' LEU . 3.3 tm? -108.99 125.69 52.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.636 ' CB ' HG23 ' A' ' 18' ' ' THR . 37.0 mt-10 -105.02 152.7 22.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.915 HG23 ' HB2' ' A' ' 87' ' ' ALA . 36.7 t -134.56 120.55 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.142 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.435 ' O ' HG23 ' A' ' 21' ' ' VAL . 25.7 m170 -103.27 146.55 28.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.74 125.36 25.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.9 t -71.43 137.9 48.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 29.4 p -45.96 143.83 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 134.87 59.79 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 9.1 t -139.58 146.53 39.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.87 0.366 . . . . 0.0 111.144 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 80.3 p -81.26 148.01 62.13 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.557 0.694 . . . . 0.0 111.146 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 123.58 10.22 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.343 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.404 ' CG ' ' N ' ' A' ' 119' ' ' ILE . 27.1 t-20 -97.43 168.17 10.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.404 ' N ' ' CG ' ' A' ' 118' ' ' ASN . 21.2 mm -91.02 134.69 28.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -123.8 156.5 35.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.6 t -121.86 151.08 41.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.804 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -156.0 144.16 10.58 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 157.03 61.83 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.665 2.244 . . . . 0.0 112.351 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 35.6 m -128.23 145.98 50.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 41.3 t -78.22 142.67 37.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 t -56.49 121.85 10.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 110.866 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -115.77 162.41 17.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.68 -173.24 33.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -123.71 165.42 17.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 m -69.48 -58.65 3.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.61 84.63 0.5 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 64.7 mt -127.54 -52.58 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.897 0.38 . . . . 0.0 111.15 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 99' ' ' LYS . 2.2 mt -51.29 -36.64 43.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.957 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.732 ' CD1' HG22 ' A' ' 31' ' ' VAL . 2.0 t80 -71.33 87.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.588 HD11 ' CD ' ' A' ' 32' ' ' LYS . 22.1 mm -41.28 -72.04 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.079 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.477 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 1.3 tp10 -101.88 148.1 25.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -125.38 128.41 24.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.558 0.694 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 106.93 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.348 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' GLY . 76.2 mm-40 -83.71 38.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' GLN . . . 37.08 -156.39 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.459 ' O ' HD22 ' A' ' 107' ' ' LEU . . . 173.43 -150.13 11.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.533 HG23 ' HB3' ' A' ' 108' ' ' GLU . 16.2 m -142.54 114.3 8.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.853 0.359 . . . . 0.0 111.119 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.9 p -113.52 141.88 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -73.59 153.26 40.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 110' ' ' HIS . 55.7 t -61.75 116.43 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.15 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.55 -6.62 61.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -85.53 -176.26 6.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.37 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -126.59 128.49 46.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.3 tt -127.13 157.61 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.8 m -137.94 138.79 39.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -110.55 140.19 45.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.9 mm -101.98 142.05 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.673 ' HB1' ' CZ ' ' A' ' 10' ' ' PHE . . . -157.99 112.94 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 mtmm -112.09 153.17 27.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.791 HG21 HG21 ' A' ' 94' ' ' VAL . 60.3 t -137.73 136.93 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.588 ' CD ' HD11 ' A' ' 11' ' ' ILE . 3.3 tptm -76.35 119.82 20.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.14 145.12 44.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.45 ' O ' ' NH1' ' A' ' 71' ' ' ARG . 55.2 mt-10 -105.77 -39.46 6.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -100.27 152.35 20.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.522 HD21 ' HD3' ' A' ' 71' ' ' ARG . 1.7 mt -111.45 4.19 18.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.5 mt -89.04 -27.96 20.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.471 ' HD2' ' N ' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -103.79 178.52 4.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -148.59 121.56 4.57 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.56 0.695 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 120.53 7.3 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.379 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.8 m -79.92 138.65 37.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.433 ' O ' HG23 ' A' ' 42' ' ' ILE . 17.2 tt -128.2 124.0 61.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.488 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 1.6 tppt? -121.32 126.66 50.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -94.15 130.07 40.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.488 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 48.2 m-85 -125.5 146.4 49.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.872 ' HB2' HD21 ' A' ' 52' ' ' LEU . 25.2 tptp -122.29 148.95 44.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.85 -130.83 51.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.468 ' HD2' ' NE1' ' A' ' 49' ' ' TRP . 8.5 tmtm? -104.67 -55.8 2.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.757 0.313 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.468 ' NE1' ' HD2' ' A' ' 48' ' ' LYS . 12.7 m95 -103.1 -35.64 8.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.543 ' CE ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -41.97 127.31 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.44 ' OD2' ' CE1' ' A' ' 45' ' ' PHE . 56.9 t0 -121.66 109.79 15.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.872 HD21 ' HB2' ' A' ' 46' ' ' LYS . 14.4 mt -60.36 -35.14 74.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.467 ' CB ' ' HD2' ' A' ' 43' ' ' LYS . . . -44.69 -46.55 10.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.2 t -79.25 -32.29 43.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.4 -24.59 67.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.645 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -57.54 113.82 1.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.22 -79.16 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -117.62 -37.24 3.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 80' ' ' ILE . 76.7 m-70 -90.63 -7.36 52.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.645 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.4 tp -145.97 147.6 31.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.442 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 7.5 mm-40 -148.15 124.66 11.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.3 mt -93.0 150.89 20.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -128.92 153.27 47.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -152.77 132.89 13.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 74' ' ' THR . 7.3 t -148.52 153.29 38.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.571 ' CE1' ' CE1' ' A' ' 73' ' ' TYR . 41.5 t80 -123.77 145.93 48.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -130.15 91.73 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.48 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -61.31 -32.89 72.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -44.26 -39.73 4.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.437 ' O ' HG23 ' A' ' 72' ' ' VAL . 1.0 OUTLIER -121.72 6.44 9.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.816 -179.803 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.522 ' HD3' HD21 ' A' ' 36' ' ' LEU . 12.8 mtm180 52.95 50.88 16.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 70' ' ' SER . 78.5 t -140.17 129.99 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.571 ' CE1' ' CE1' ' A' ' 66' ' ' PHE . 48.2 m-85 -89.83 144.74 25.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.516 ' O ' HG22 ' A' ' 65' ' ' THR . 85.8 m -127.01 108.6 11.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -108.17 126.36 52.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -114.81 168.4 9.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.503 ' SD ' ' CG1' ' A' ' 79' ' ' ILE . 10.3 tmm? -141.25 105.27 4.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -86.52 138.18 31.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.603 HG12 HD12 ' A' ' 60' ' ' LEU . 2.3 mt -125.78 102.88 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.595 ' H ' HD12 ' A' ' 80' ' ' ILE . 0.9 OUTLIER -91.08 135.72 26.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 36.3 mttt 57.27 48.16 15.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.17 118.69 3.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.053 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -94.55 164.64 12.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.98 -29.85 31.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -68.23 -23.72 64.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.561 ' O ' HD12 ' A' ' 107' ' ' LEU . 2.7 m-85 -72.57 1.0 9.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.961 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -95.38 152.55 18.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.69 -133.71 6.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.445 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -116.01 130.4 56.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.886 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 6.8 m-85 -101.8 170.12 8.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -153.65 121.7 6.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 20.1 t -108.73 126.06 52.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -115.83 118.65 33.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.791 HG21 HG21 ' A' ' 31' ' ' VAL . 5.1 p -123.5 109.34 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.9 m -102.72 136.32 42.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.133 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.486 ' CD2' ' OD2' ' A' ' 98' ' ' ASP . 4.7 t80 -139.32 176.66 8.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.5 ' HD2' ' N ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -63.03 -71.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.894 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.486 ' OD2' ' CD2' ' A' ' 96' ' ' TYR . 0.1 OUTLIER -40.13 -75.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.455 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 63.6 mmtt -139.25 168.89 18.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.447 ' CE1' ' OG ' ' A' ' 102' ' ' SER . 0.9 OUTLIER -119.56 118.0 29.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -110.57 155.9 21.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.447 ' OG ' ' CE1' ' A' ' 100' ' ' PHE . 34.3 m -149.24 128.21 12.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.2 m -127.27 171.63 11.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 85.4 p -141.77 161.22 38.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 90' ' ' TYR . 2.3 p90 -146.12 -176.92 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -124.73 138.31 54.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 86' ' ' PHE . 2.9 tm? -126.0 129.27 48.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.533 ' HB3' HG23 ' A' ' 18' ' ' THR . 13.9 mt-10 -110.89 147.51 34.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.961 HG23 ' HB2' ' A' ' 87' ' ' ALA . 21.5 t -128.19 120.81 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.067 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.574 ' O ' HG23 ' A' ' 21' ' ' VAL . 25.5 m170 -103.13 153.18 20.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -73.28 125.3 27.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.617 ' O ' HG23 ' A' ' 113' ' ' THR . 6.9 t -68.08 125.66 27.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.617 HG23 ' O ' ' A' ' 112' ' ' SER . 38.4 p -162.42 141.4 9.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.171 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -67.11 71.87 0.2 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 70.4 p -140.47 162.78 34.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 111.132 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 76.0 p -132.18 140.58 38.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.642 0.734 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 149.92 67.71 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.685 2.257 . . . . 0.0 112.328 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -63.7 147.74 50.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 18.1 mt -111.22 125.57 68.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 121' ' ' SER . 4.1 p-10 -148.87 138.41 21.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 120' ' ' ASP . 33.5 t -37.6 146.68 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 89.29 69.37 1.25 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.509 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -49.67 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.677 2.251 . . . . 0.0 112.316 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 81.5 p -165.41 168.37 16.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.2 m -146.44 139.87 25.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.461 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 m -131.22 113.04 13.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 0.0 110.909 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -47.46 132.43 13.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.68 88.11 0.4 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.0 t -149.93 167.14 27.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 m -115.77 -41.33 3.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.827 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.29 135.99 13.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.447 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.89 129.98 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 111.096 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.667 ' HB3' HG13 ' A' ' 31' ' ' VAL . 76.8 mt -87.86 -179.06 6.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.791 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.4 OUTLIER 54.88 45.99 25.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.55 HG23 ' N ' ' A' ' 12' ' ' GLU . 2.3 tp -37.96 -46.74 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.55 ' N ' HG23 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -95.96 146.03 24.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.468 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 33.7 mttt -120.5 108.28 37.79 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.711 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.405 ' HG3' ' HB2' ' A' ' 29' ' ' ALA . 53.8 Cg_endo -69.79 85.97 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.656 2.238 . . . . 0.0 112.362 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -68.5 105.77 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.47 156.42 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.468 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.497 ' O ' HD22 ' A' ' 107' ' ' LEU . . . -134.35 -141.02 4.39 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.441 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.477 HG23 ' HB3' ' A' ' 108' ' ' GLU . 9.9 m -139.65 115.53 10.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 111.117 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.6 p -116.46 142.29 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' CB ' ' OE1' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -74.38 153.68 39.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.4 t -62.38 119.87 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.48 -13.8 62.55 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.442 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.405 ' OE1' ' CB ' ' A' ' 20' ' ' LYS . 12.3 mt-10 -77.11 -177.33 4.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -129.44 117.59 20.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.3 tt -117.9 154.61 19.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.6 m -139.27 143.5 37.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -115.07 145.77 41.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.4 mm -107.26 132.17 55.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.791 ' HB1' ' CE1' ' A' ' 10' ' ' PHE . . . -152.2 113.28 4.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.07 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -113.06 154.39 26.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.803 HG21 HG21 ' A' ' 94' ' ' VAL . 94.7 t -123.99 141.46 44.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -75.89 117.65 17.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -120.25 151.99 38.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -120.36 -48.48 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.57 168.05 11.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.0 mt -111.58 -29.98 7.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.56 -37.75 76.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -91.06 152.3 20.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -142.68 115.7 6.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.539 ' HD2' ' CZ ' ' A' ' 73' ' ' TYR . 53.1 Cg_endo -69.84 166.06 28.98 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.319 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.2 m -135.95 134.99 39.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.424 ' O ' HG23 ' A' ' 42' ' ' ILE . 19.3 tt -111.12 127.3 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.461 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 7.3 tppt? -117.0 120.44 38.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.521 ' CE3' ' SD ' ' A' ' 77' ' ' MET . 29.2 m95 -90.25 129.46 36.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.461 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 48.5 m-85 -123.54 146.97 47.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.827 ' HB2' HD21 ' A' ' 52' ' ' LEU . 25.4 tptp -123.52 153.96 39.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.829 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.452 ' N ' ' HG3' ' A' ' 46' ' ' LYS . . . 62.67 -125.45 35.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -104.08 -52.87 2.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.713 0.292 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -134.33 36.89 3.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.597 ' CE ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -92.16 127.77 37.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.85 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 5.0 t0 -103.2 108.95 20.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.827 HD21 ' HB2' ' A' ' 46' ' ' LYS . 20.1 mt -72.57 -27.86 62.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -45.43 -57.92 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.49 -27.22 65.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.437 ' CE ' ' SD ' ' A' ' 50' ' ' MET . 35.9 mmtt -71.87 -29.67 64.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.576 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -59.3 109.72 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.489 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . -147.34 -73.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -117.23 -57.21 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' A' ' 80' ' ' ILE . 87.9 m-70 -65.49 -34.58 78.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.576 HD23 ' CA ' ' A' ' 56' ' ' ALA . 3.4 tp -119.17 146.22 45.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 23.6 mm-40 -148.74 125.65 11.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.1 mt -96.29 154.47 17.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.425 ' HE3' ' CD ' ' A' ' 76' ' ' GLU . 13.1 ttpp -130.23 147.88 52.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -152.5 131.19 12.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.486 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 11.4 t -147.94 166.33 28.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.14 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.406 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 68.6 t80 -136.95 145.8 44.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -127.95 101.46 6.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.468 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -63.82 -26.65 68.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -50.74 -39.24 51.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 t -119.71 -1.91 10.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.486 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 15.1 mtt85 59.67 45.42 13.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.715 HG13 ' O ' ' A' ' 31' ' ' VAL . 91.8 t -136.49 136.7 48.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.539 ' CZ ' ' HD2' ' A' ' 40' ' ' PRO . 51.0 m-85 -89.83 145.52 25.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.486 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 30.0 m -124.48 103.4 8.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -104.09 138.14 41.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.507 ' N ' ' OE1' ' A' ' 76' ' ' GLU . 15.5 mp0 -131.02 165.65 22.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.521 ' SD ' ' CE3' ' A' ' 44' ' ' TRP . 39.9 ttp -134.96 98.1 3.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -86.23 112.88 21.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.505 HG12 HD12 ' A' ' 60' ' ' LEU . 2.8 mt -105.89 111.27 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' ' 59' ' ' HIS . 1.9 mp -98.47 141.05 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.153 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.8 mttm 55.78 45.93 23.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.19 114.57 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -92.54 166.71 12.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.34 -23.67 38.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -73.84 -18.36 60.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -77.75 -15.39 59.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.011 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -82.9 138.24 33.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 152.62 -121.08 1.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -128.63 122.37 30.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 110.838 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.647 ' CB ' ' CE2' ' A' ' 105' ' ' PHE . 20.7 m-85 -97.63 168.75 10.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.1 ttt85 -149.14 157.08 43.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.41 ' O ' ' CD ' ' A' ' 93' ' ' GLU . 2.0 t -142.96 144.48 32.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 92' ' ' CYS . 17.1 mp0 -142.86 118.18 10.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.803 HG21 HG21 ' A' ' 31' ' ' VAL . 7.5 p -126.25 128.63 71.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.407 HG22 ' CD2' ' A' ' 100' ' ' PHE . 19.7 p -111.76 174.47 5.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.16 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.481 ' O ' ' C ' ' A' ' 97' ' ' LYS . 4.4 t80 -168.87 -179.03 3.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.481 ' C ' ' O ' ' A' ' 96' ' ' TYR . 27.8 mtpt -30.6 -75.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -134.49 28.72 3.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.816 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.52 ' O ' HD11 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -138.94 129.65 26.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.407 ' CD2' HG22 ' A' ' 95' ' ' THR . 2.0 t80 -144.97 141.83 29.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -147.88 143.08 27.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.4 p -119.8 153.66 35.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 7.9 t -153.72 144.77 22.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 88.5 p -125.72 153.37 44.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.647 ' CE2' ' CB ' ' A' ' 90' ' ' TYR . 0.7 OUTLIER -139.66 -177.82 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.923 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -127.06 131.19 50.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.497 HD22 ' O ' ' A' ' 17' ' ' GLY . 2.1 tm? -117.0 130.39 56.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.477 ' HB3' HG23 ' A' ' 18' ' ' THR . 8.6 mt-10 -107.77 144.33 35.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 1.011 HG23 ' HB2' ' A' ' 87' ' ' ALA . 39.1 t -127.68 120.3 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.402 ' HB2' ' HD3' ' A' ' 20' ' ' LYS . 21.1 m170 -103.06 140.93 36.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -61.45 127.8 33.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.1 t -76.38 81.69 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 62.8 p -95.24 149.35 21.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.08 -113.25 0.27 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.47 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.455 ' O ' HG23 ' A' ' 115' ' ' THR . 13.8 t -81.23 125.77 30.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 111.146 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.7 p -85.97 151.52 54.82 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.548 0.689 . . . . 0.0 111.132 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 178.14 4.89 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.663 2.242 . . . . 0.0 112.31 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.411 ' C ' HG13 ' A' ' 119' ' ' ILE . 4.4 p-10 -45.23 162.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.411 HG13 ' C ' ' A' ' 118' ' ' ASN . 56.3 mt -144.75 137.75 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -73.17 99.6 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.3 m -71.15 166.75 20.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -89.61 134.32 12.31 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 2.28 3.69 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.31 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.5 p 67.84 38.21 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 7.9 t -151.11 136.55 17.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -86.56 -51.19 6.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.86 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.4 p -138.56 148.05 43.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.7 113.23 3.63 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.0 p -116.53 -46.99 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.848 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.3 p -131.53 152.45 50.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.89 126.99 5.44 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.513 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.1 mt -130.5 -52.1 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 111.112 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 11' ' ' ILE . 5.3 tt -76.48 -61.02 2.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 12' ' ' GLU . 2.0 t80 -41.86 91.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.668 HD11 ' HD3' ' A' ' 32' ' ' LYS . 29.7 mm -37.61 -67.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.583 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -109.6 147.38 33.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -126.96 133.55 25.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.554 0.692 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 111.55 2.85 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.315 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -90.57 30.31 1.17 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 42.55 -166.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.411 ' O ' HD22 ' A' ' 107' ' ' LEU . . . 178.6 -151.19 10.21 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.631 HG23 ' CB ' ' A' ' 108' ' ' GLU . 5.5 m -140.8 120.86 13.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 111.163 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.7 p -118.85 142.93 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.434 ' CB ' ' OE1' ' A' ' 23' ' ' GLU . 2.4 tppp? -74.28 154.25 39.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 110' ' ' HIS . 71.1 t -62.47 117.2 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.05 -4.98 61.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.465 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.434 ' OE1' ' CB ' ' A' ' 20' ' ' LYS . 25.9 mt-10 -86.89 175.92 7.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.866 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -120.56 124.26 44.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.7 tt -123.8 152.04 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.6 m -136.79 131.05 32.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -101.58 138.96 37.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.44 HD13 ' HG2' ' A' ' 76' ' ' GLU . 32.9 mm -97.87 146.07 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -158.07 113.38 2.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.468 ' HG3' HG23 ' A' ' 74' ' ' THR . 8.2 mtmt -112.84 154.95 25.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.611 ' O ' HG13 ' A' ' 72' ' ' VAL . 7.2 p -141.92 140.17 30.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.668 ' HD3' HD11 ' A' ' 11' ' ' ILE . 3.3 tptm -80.36 118.1 21.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -118.69 132.44 56.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -110.71 35.39 3.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -166.21 158.54 14.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.1 mt -116.78 -29.6 6.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.48 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 2.8 mp -59.46 -32.57 70.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -109.41 160.59 16.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.564 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 35.4 ttmt -140.22 126.95 12.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.579 0.704 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 128.35 15.9 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.708 2.272 . . . . 0.0 112.289 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.4 m -92.29 130.16 38.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.546 HD11 ' SG ' ' A' ' 92' ' ' CYS . 6.2 tt -105.83 150.84 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.142 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.571 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 2.6 tppp? -144.79 116.62 8.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -88.88 141.82 28.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.571 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 66.0 m-85 -135.93 176.5 8.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.498 ' HG3' ' N ' ' A' ' 47' ' ' GLY . 13.2 tttm -166.09 152.56 9.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.498 ' N ' ' HG3' ' A' ' 46' ' ' LYS . . . 68.96 -130.51 24.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.479 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.434 ' HG2' ' NE1' ' A' ' 49' ' ' TRP . 1.2 ttmp? -104.36 -55.26 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.741 0.305 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.434 ' NE1' ' HG2' ' A' ' 48' ' ' LYS . 11.2 m95 -132.87 39.13 3.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.568 ' CE ' HD23 ' A' ' 52' ' ' LEU . 6.4 ttp -100.41 124.5 46.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.855 ' OD1' ' HB3' ' A' ' 53' ' ' ALA . 7.2 t70 -103.39 101.14 11.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.568 HD23 ' CE ' ' A' ' 50' ' ' MET . 65.0 mt -59.53 -28.99 67.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.855 ' HB3' ' OD1' ' A' ' 51' ' ' ASP . . . -49.18 -57.31 6.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.81 -22.97 63.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -71.47 -32.86 68.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.677 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -54.85 117.19 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.49 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . -151.81 -73.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.452 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -120.26 -54.65 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.479 ' O ' ' N ' ' A' ' 80' ' ' ILE . 97.6 m-70 -69.98 -31.21 68.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.828 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.677 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.8 tp -117.46 144.23 45.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 44.9 mm-40 -149.01 122.51 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.632 HD23 ' HG2' ' A' ' 77' ' ' MET . 13.3 mt -91.49 163.19 14.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.14 149.95 47.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.402 ' C ' ' OE2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -148.77 132.43 16.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 74' ' ' THR . 5.7 t -148.16 158.67 44.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.45 ' HB2' ' CD2' ' A' ' 73' ' ' TYR . 31.8 t80 -129.45 152.82 48.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 71' ' ' ARG . 39.9 mt-10 -130.1 92.72 3.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.462 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -62.37 -41.22 98.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -51.64 -24.53 5.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.4 t -124.23 -5.84 7.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 67' ' ' GLU . 13.9 mtt180 55.89 50.74 13.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.611 HG13 ' O ' ' A' ' 31' ' ' VAL . 72.4 t -142.14 128.97 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.564 ' CE2' ' HG3' ' A' ' 39' ' ' LYS . 65.1 m-85 -90.24 135.56 33.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.468 HG23 ' HG3' ' A' ' 30' ' ' LYS . 28.0 m -122.68 115.59 22.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.405 ' HB2' HD13 ' A' ' 42' ' ' ILE . 29.6 m-85 -113.53 128.58 56.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.44 ' HG2' HD13 ' A' ' 28' ' ' ILE . 4.3 mt-10 -115.74 167.38 10.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.632 ' HG2' HD23 ' A' ' 62' ' ' LEU . 10.4 tmm? -138.3 105.26 5.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -88.3 138.3 31.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.567 HG12 HD12 ' A' ' 60' ' ' LEU . 2.6 mt -127.07 104.1 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.625 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.1 mp -92.28 133.81 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 43.1 mttt 62.0 47.23 5.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.17 109.87 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.068 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -87.65 169.65 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -17.85 35.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -78.04 -16.7 57.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.51 ' O ' HD12 ' A' ' 107' ' ' LEU . 3.9 m-85 -79.63 -4.73 52.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.03 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -93.62 111.09 22.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -178.92 -126.08 0.98 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.51 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -121.62 126.58 49.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.358 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.578 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 12.3 m-85 -111.11 136.47 50.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -129.1 127.48 41.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.546 ' SG ' HD11 ' A' ' 42' ' ' ILE . 8.4 t -111.95 147.5 35.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -141.42 125.57 17.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.581 HG11 ' CE1' ' A' ' 10' ' ' PHE . 3.8 p -130.64 107.42 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.515 HG23 ' HB2' ' A' ' 100' ' ' PHE . 1.3 m -97.7 107.37 19.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -101.48 148.69 24.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -46.85 -41.22 15.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.929 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -69.94 -70.75 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -138.33 166.11 25.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.515 ' HB2' HG23 ' A' ' 95' ' ' THR . 6.3 t80 -117.91 128.09 54.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -123.91 153.77 40.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.6 p -138.88 158.36 44.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 28.4 p -164.02 143.44 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 t -125.08 160.36 29.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 90' ' ' TYR . 22.9 p90 -153.68 169.95 22.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.841 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -116.86 130.15 56.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.516 HD13 ' C ' ' A' ' 107' ' ' LEU . 3.4 tm? -109.54 127.26 54.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.631 ' CB ' HG23 ' A' ' 18' ' ' THR . 23.9 mt-10 -106.01 146.96 29.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 1.03 HG23 ' HB2' ' A' ' 87' ' ' ALA . 30.2 t -129.39 119.91 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.407 ' O ' HG23 ' A' ' 21' ' ' VAL . 20.8 m170 -103.11 143.75 32.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -64.5 125.57 25.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.5 t -76.25 82.78 3.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 14.4 t -117.34 153.93 32.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.17 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -70.98 171.55 45.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.518 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 14.5 t -100.06 136.38 40.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 0.0 111.117 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 22.8 p -81.88 152.87 69.54 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.568 0.699 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 164.86 32.96 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.701 2.267 . . . . 0.0 112.319 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -151.4 173.02 15.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 46.2 mt -111.66 139.22 36.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.156 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -85.71 120.9 27.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.825 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 48.6 m -49.84 161.84 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -95.86 145.47 17.8 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 145.54 57.45 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.625 2.216 . . . . 0.0 112.385 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 35.7 m -120.06 95.17 4.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.824 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.0 p -70.09 151.56 45.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.828 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m -144.47 122.35 11.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.2 m -106.28 -46.89 3.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.39 -167.0 6.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.447 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 m -110.89 101.3 9.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 0.0 110.823 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -103.42 -47.25 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.49 106.46 0.25 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.408 HG23 ' O ' ' A' ' 8' ' ' ILE . 8.2 tp -94.28 128.76 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.351 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.428 HD22 ' O ' ' A' ' 99' ' ' LYS . 1.2 tp -129.31 160.95 31.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.848 ' HD1' HG22 ' A' ' 31' ' ' VAL . 0.5 OUTLIER 72.52 50.83 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 tp -42.04 -36.29 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -104.55 152.62 22.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -134.57 124.13 16.77 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.576 0.703 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 102.94 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.668 2.245 . . . . 0.0 112.327 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -82.91 108.0 15.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.77 170.21 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.467 ' O ' HD22 ' A' ' 107' ' ' LEU . . . -157.56 -154.91 7.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.735 HG23 ' CB ' ' A' ' 108' ' ' GLU . 3.8 m -136.39 117.15 14.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.823 0.344 . . . . 0.0 111.182 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 p -112.58 140.21 33.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' HB3' ' CD ' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -73.74 153.59 39.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.1 t -61.14 123.0 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.78 -17.17 59.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 2.5 mp0 -78.16 -177.08 4.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.12 140.16 51.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.4 tt -131.89 156.78 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 m -139.66 124.86 18.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -100.79 142.62 32.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.479 HD13 ' HG2' ' A' ' 76' ' ' GLU . 31.0 mm -99.55 126.99 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.13 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.93 111.11 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 ptpp? -132.18 139.92 48.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.911 HG21 HG11 ' A' ' 94' ' ' VAL . 25.5 t -109.48 148.92 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -76.1 123.57 26.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -124.7 159.82 29.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -125.4 -44.78 1.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.06 170.83 10.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.3 mt -110.14 -35.61 6.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.428 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.8 mm? -59.53 -38.19 80.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.7 mmt-85 -90.19 125.89 35.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.407 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 4.3 ttpm? -118.3 110.94 38.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.566 0.698 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 39' ' ' LYS . 53.9 Cg_endo -69.73 108.81 2.16 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.731 2.287 . . . . 0.0 112.341 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.3 m -85.2 143.7 28.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.0 tt -113.61 132.98 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.069 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.597 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 1.5 tppp? -116.62 124.82 50.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.502 ' CE3' ' SD ' ' A' ' 77' ' ' MET . 27.9 m95 -95.42 122.83 38.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.597 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 64.0 m-85 -119.44 162.53 18.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.532 ' CB ' HD21 ' A' ' 52' ' ' LEU . 16.8 tttm -149.28 152.01 35.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.475 ' N ' ' HG3' ' A' ' 46' ' ' LYS . . . 71.24 -132.41 21.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.5 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.5 tttt -104.3 -44.81 4.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.706 0.289 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -127.05 -29.28 2.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.3 ttp -42.28 132.1 3.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.934 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.595 ' OD1' ' CE1' ' A' ' 45' ' ' PHE . 29.6 t0 -117.33 105.47 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.532 HD21 ' CB ' ' A' ' 46' ' ' LYS . 33.2 mt -48.95 -42.92 39.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -42.03 -40.49 2.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.5 t -75.89 -32.76 59.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 52' ' ' LEU . 74.0 mmtt -69.45 -33.13 72.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.678 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -54.15 108.19 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -154.06 -54.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.46 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -133.04 -60.98 0.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.783 0.325 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -67.63 -29.29 68.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.678 HD23 ' CA ' ' A' ' 56' ' ' ALA . 3.8 tp -119.75 144.69 47.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.414 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 36.0 mm-40 -148.92 125.02 10.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.3 mt -91.67 165.2 13.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.17 145.79 41.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -152.44 127.67 9.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 74' ' ' THR . 11.1 t -139.85 167.16 22.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.56 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 73.9 t80 -134.23 144.14 48.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -128.68 93.0 3.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.422 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -51.0 -35.32 33.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.912 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -39.31 -59.78 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 60.6 p -102.96 -6.57 22.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 65.64 47.4 2.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.629 HG13 ' O ' ' A' ' 31' ' ' VAL . 94.9 t -134.21 132.63 55.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.56 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 26.4 m-85 -89.49 121.62 31.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.949 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.538 ' O ' HG22 ' A' ' 65' ' ' THR . 41.6 m -99.64 106.55 18.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.174 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.505 ' CZ ' ' HB3' ' A' ' 73' ' ' TYR . 6.4 m-85 -103.73 147.79 26.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.479 ' HG2' HD13 ' A' ' 28' ' ' ILE . 24.5 mt-10 -140.27 169.29 17.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.502 ' SD ' ' CE3' ' A' ' 44' ' ' TRP . 37.9 ttp -134.81 101.79 5.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -90.01 112.12 23.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.494 HG12 HD12 ' A' ' 60' ' ' LEU . 2.3 mt -104.48 115.19 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.9 mp -100.41 132.97 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.1 mttm 64.28 46.79 3.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.57 101.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.454 ' HB2' ' ND2' ' A' ' 85' ' ' ASN . 36.3 mttt -81.78 167.82 18.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.21 -23.46 47.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.454 ' ND2' ' HB2' ' A' ' 83' ' ' LYS . 0.5 OUTLIER -72.36 -21.2 61.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -73.97 -15.89 61.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.979 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -81.13 117.25 21.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 169.31 -140.54 6.18 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -101.82 143.91 31.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.586 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 24.0 m-85 -128.74 144.08 51.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -127.74 150.45 49.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 10.5 m -129.69 132.85 46.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -128.75 121.4 28.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.911 HG11 HG21 ' A' ' 31' ' ' VAL . 91.4 t -129.74 131.95 66.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -131.13 99.42 4.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.536 ' CZ ' ' HD2' ' A' ' 97' ' ' LYS . 8.1 t80 -78.55 -76.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.536 ' HD2' ' CZ ' ' A' ' 96' ' ' TYR . 32.5 mtpt -135.04 -76.07 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.14 11.0 10.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.852 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.428 ' O ' HD22 ' A' ' 9' ' ' LEU . 22.4 mttm -130.6 108.65 10.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.487 ' CD2' ' O ' ' A' ' 94' ' ' VAL . 2.8 t80 -115.83 136.63 52.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.89 144.5 51.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 68.3 p -131.95 126.78 34.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 25.1 t -133.61 134.84 43.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 78.1 p -115.45 135.9 53.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.586 ' CZ ' ' HB3' ' A' ' 90' ' ' TYR . 3.6 p90 -119.37 -174.82 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -126.6 128.53 46.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.467 HD22 ' O ' ' A' ' 17' ' ' GLY . 1.8 tm? -115.54 124.01 49.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.735 ' CB ' HG23 ' A' ' 18' ' ' THR . 20.4 mt-10 -105.17 148.82 26.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.979 HG23 ' HB2' ' A' ' 87' ' ' ALA . 39.1 t -131.18 116.9 34.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -102.86 145.1 30.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -61.99 128.37 35.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.6 t -81.68 148.43 29.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 84.9 m -107.58 89.3 2.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -57.34 152.81 24.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.431 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.0 t -139.66 147.54 41.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 0.0 111.154 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 57.8 p -74.54 143.55 79.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.541 0.686 . . . . 0.0 111.145 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 173.98 10.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.642 2.228 . . . . 0.0 112.334 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.451 ' HB3' ' CB ' ' A' ' 121' ' ' SER . 8.2 t-20 -156.21 179.21 9.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 120' ' ' ASP . 76.7 mt -69.85 114.17 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 119' ' ' ILE . 92.8 m-20 33.73 50.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.451 ' CB ' ' HB3' ' A' ' 118' ' ' ASN . 7.3 t -107.44 90.52 3.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 73.81 159.48 6.01 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.461 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 138.55 37.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.308 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.7 t -112.14 41.25 2.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 25.7 m -148.21 129.95 15.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.449 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.0 p -120.87 -61.36 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -98.54 166.13 11.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.72 81.34 0.75 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.7 m -144.52 161.62 38.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 m -94.53 94.82 8.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.59 96.3 0.12 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.454 ' N ' HD12 ' A' ' 8' ' ' ILE . 4.7 mp -101.39 114.55 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 0.0 111.125 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.921 HD12 ' HB2' ' A' ' 99' ' ' LYS . 11.3 mt -90.54 -37.91 13.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.524 ' CD2' ' O ' ' A' ' 12' ' ' GLU . 1.9 t80 -51.76 106.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.2 mm -57.06 -74.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.524 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -98.79 160.15 14.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -127.9 142.2 43.58 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.561 0.696 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 110.81 2.64 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -90.4 110.93 22.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.93 169.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.605 ' O ' HD22 ' A' ' 107' ' ' LEU . . . -158.71 -157.92 8.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.601 HG23 ' CB ' ' A' ' 108' ' ' GLU . 8.3 m -135.58 112.76 10.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 111.144 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.9 p -108.7 140.43 27.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.6 153.93 39.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.44 117.73 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.135 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.8 -14.2 63.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.524 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -76.58 -175.41 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -132.5 119.92 21.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.5 tt -117.76 154.0 19.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 m -137.66 137.36 38.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -106.95 152.08 24.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.0 mm -115.95 140.46 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.494 ' HB1' ' HZ ' ' A' ' 10' ' ' PHE . . . -156.77 113.46 3.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -104.82 164.47 11.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.478 ' CG1' ' HB2' ' A' ' 73' ' ' TYR . 14.7 p -151.27 135.98 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.154 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -77.05 125.88 30.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -123.16 164.51 18.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.428 ' O ' ' NH1' ' A' ' 71' ' ' ARG . 47.4 mt-10 -129.56 -43.24 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -93.42 150.65 20.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.0 mt -97.77 -40.19 8.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.498 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.1 mm? -53.38 -44.26 68.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -92.0 148.61 22.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -140.17 126.01 11.72 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.618 0.723 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 130.91 20.24 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.694 2.263 . . . . 0.0 112.346 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.1 m -96.16 141.64 29.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.775 HD11 ' SG ' ' A' ' 92' ' ' CYS . 6.8 tt -111.66 134.82 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.599 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 2.4 tppp? -125.68 116.32 21.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.47 ' HB3' HD12 ' A' ' 52' ' ' LEU . 46.8 m95 -89.93 120.11 30.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.599 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 61.6 m-85 -111.31 151.53 28.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.934 ' HB2' HD21 ' A' ' 52' ' ' LEU . 22.5 tptm -129.3 157.55 41.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.409 ' N ' ' HG3' ' A' ' 46' ' ' LYS . . . 58.88 -127.26 44.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.537 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -99.07 -57.52 2.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -131.31 34.35 4.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.625 ' CE ' HD23 ' A' ' 52' ' ' LEU . 1.2 tmm? -87.86 132.39 34.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.521 ' OD1' ' HB3' ' A' ' 53' ' ' ALA . 4.7 t0 -107.07 107.06 17.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.934 HD21 ' HB2' ' A' ' 46' ' ' LYS . 28.6 mt -69.16 -27.7 65.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.521 ' HB3' ' OD1' ' A' ' 51' ' ' ASP . . . -47.67 -56.46 7.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.9 p -69.33 -24.32 63.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -74.23 -32.65 63.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.68 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -56.41 113.82 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.486 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . -153.06 -66.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.507 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -124.22 -60.28 1.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.33 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.4 ' O ' ' O ' ' A' ' 80' ' ' ILE . 96.7 m-70 -66.04 -20.47 66.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.68 HD23 ' CA ' ' A' ' 56' ' ' ALA . 3.7 tp -131.8 145.52 51.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 48.7 mm-40 -149.76 125.15 10.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.6 mt -91.37 164.49 13.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -139.5 145.88 39.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -152.37 128.39 10.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.472 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 14.0 t -138.46 167.26 22.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.613 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 43.0 t80 -135.0 147.64 49.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -128.07 97.32 4.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -22.86 66.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -53.59 -44.68 69.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.7 m -119.54 2.4 11.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.531 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 13.6 mtm180 61.72 34.18 17.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 69.5 t -119.48 132.26 69.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.613 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 67.6 m-85 -91.69 155.54 18.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.472 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 14.7 m -137.06 114.5 10.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -109.9 148.12 32.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -141.66 166.0 25.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 49.6 ttp -135.02 101.4 4.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -87.39 110.27 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.497 HG12 HD12 ' A' ' 60' ' ' LEU . 2.4 mt -103.19 112.21 35.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.492 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.9 mp -96.88 146.46 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.9 mttm 48.07 48.79 18.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.51 110.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.071 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -88.81 167.56 13.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.7 -20.21 20.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.901 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -76.02 -19.84 58.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -75.88 -14.16 60.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.979 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -82.9 114.23 21.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -179.12 -142.84 5.1 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -109.97 117.75 34.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.357 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 20.3 m-85 -98.16 156.91 16.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -142.95 121.21 12.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.775 ' SG ' HD11 ' A' ' 42' ' ' ILE . 1.9 t -101.87 133.52 46.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -134.45 118.08 16.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 99.6 t -126.57 104.21 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.947 HG23 ' HB2' ' A' ' 100' ' ' PHE . 18.1 m -99.05 121.6 41.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.169 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 97' ' ' LYS . 10.6 t80 -115.63 138.9 50.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 96' ' ' TYR . 8.1 mmmt -34.22 -47.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.94 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -66.55 -71.5 0.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.921 ' HB2' HD12 ' A' ' 9' ' ' LEU . 24.3 mmtp -133.49 161.93 33.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.947 ' HB2' HG23 ' A' ' 95' ' ' THR . 1.0 OUTLIER -120.81 126.79 50.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -120.83 157.17 30.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 80.0 p -146.27 152.2 38.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 20.6 p -162.99 134.72 5.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 94.6 p -112.24 157.87 20.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 90' ' ' TYR . 10.6 p90 -143.15 -176.6 4.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -126.17 137.18 53.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.605 HD22 ' O ' ' A' ' 17' ' ' GLY . 2.6 tm? -122.25 130.25 53.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.601 ' CB ' HG23 ' A' ' 18' ' ' THR . 4.1 mp0 -110.54 149.78 29.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.979 HG23 ' HB2' ' A' ' 87' ' ' ALA . 38.9 t -131.13 117.56 37.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.101 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -102.98 143.29 32.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -62.59 129.11 39.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.9 t -78.79 -60.22 2.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 51.5 p -50.43 157.53 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.141 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 102.08 -169.88 20.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 41.8 p -93.39 142.65 27.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.826 0.346 . . . . 0.0 111.14 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 60.2 p -112.71 141.06 24.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.592 0.71 . . . . 0.0 111.123 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 170.32 16.8 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.332 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -152.24 160.29 43.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 50.9 mt -121.89 141.39 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -79.76 132.23 36.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 37.4 m -154.07 153.98 32.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -126.65 134.22 8.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.499 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 168.97 20.14 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.26 . . . . 0.0 112.306 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.6 p -138.46 130.88 28.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.5 m -64.3 144.2 57.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 m -146.01 164.93 30.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 0.0 110.843 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -112.62 98.74 7.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.95 115.8 0.46 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 p 41.35 33.68 0.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.911 0.386 . . . . 0.0 110.851 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.1 t -95.51 107.56 19.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.78 138.31 2.49 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.512 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.559 HD12 ' C ' ' A' ' 8' ' ' ILE . 2.4 pp -122.2 -14.69 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.837 0.351 . . . . 0.0 111.116 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 10' ' ' PHE . 24.4 mt -64.88 -175.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 9' ' ' LEU . 1.2 t80 36.01 53.87 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 12' ' ' GLU . 6.9 tt -47.9 -39.94 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.155 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.425 ' N ' HG23 ' A' ' 11' ' ' ILE . 5.0 tp10 -106.63 135.58 47.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -122.4 127.27 25.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.577 0.703 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 104.27 1.29 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.704 2.269 . . . . 0.0 112.377 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -80.68 43.94 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 42.96 -166.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.91 -160.58 22.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.508 HG23 ' HB3' ' A' ' 108' ' ' GLU . 5.1 m -139.12 111.87 7.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.804 0.335 . . . . 0.0 111.126 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.8 p -114.05 140.86 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.43 ' HB3' ' CD ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -74.11 153.34 39.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.34 117.49 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.52 -3.44 63.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.43 ' CD ' ' HB3' ' A' ' 20' ' ' LYS . 52.8 mt-10 -89.1 -179.32 5.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.832 0.349 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -124.76 124.63 42.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.7 tt -123.18 151.73 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 m -139.22 130.21 26.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -98.76 154.18 18.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.485 ' CG2' ' HE2' ' A' ' 30' ' ' LYS . 41.6 mm -114.94 137.39 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.44 ' C ' ' HD3' ' A' ' 30' ' ' LYS . . . -149.0 131.93 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.722 ' HD2' HG23 ' A' ' 74' ' ' THR . 0.0 OUTLIER -116.52 160.11 21.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.551 HG21 ' HE2' ' A' ' 75' ' ' PHE . 13.8 t -143.41 126.8 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -75.78 113.97 13.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -118.77 158.73 25.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -117.96 -39.76 3.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -98.02 123.7 42.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.1 mt -62.04 -42.79 99.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.89 -55.28 36.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -63.65 133.73 54.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.432 ' NZ ' ' OE2' ' A' ' 64' ' ' GLU . 9.6 ttpp -131.58 116.34 16.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.548 0.689 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.429 ' HD3' ' CE1' ' A' ' 96' ' ' TYR . 53.7 Cg_endo -69.7 134.11 27.3 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.6 m -96.86 138.15 34.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.3 tt -112.91 133.83 57.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.067 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.59 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 2.6 tppp? -122.12 118.87 29.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.423 ' HB3' HD12 ' A' ' 52' ' ' LEU . 31.5 m95 -87.98 130.86 34.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.59 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 56.2 m-85 -126.32 164.32 21.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.662 ' HB2' HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -143.64 147.57 34.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.456 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 62.93 -130.76 42.57 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.497 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.532 ' HD3' ' CE2' ' A' ' 49' ' ' TRP . 26.2 tttt -104.33 -49.09 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.755 0.312 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.532 ' CE2' ' HD3' ' A' ' 48' ' ' LYS . 4.9 m95 -116.53 -35.28 4.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.976 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.3 ttp -42.32 120.63 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.55 ' OD2' ' HB3' ' A' ' 53' ' ' ALA . 25.1 t70 -111.35 122.0 46.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.662 HD21 ' HB2' ' A' ' 46' ' ' LYS . 22.6 mt -69.13 -39.61 78.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.55 ' HB3' ' OD2' ' A' ' 51' ' ' ASP . . . -41.65 -37.8 1.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.051 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.5 t -82.37 -27.68 31.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 52' ' ' LEU . 31.7 mmtm -69.23 -26.96 65.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.713 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -59.96 110.46 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.89 -66.29 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -125.92 -50.81 1.58 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 80' ' ' ILE . 95.1 m-70 -80.04 -14.54 58.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.713 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.3 tp -136.57 144.18 44.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.4 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 34.9 mm-40 -148.33 124.37 10.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.942 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.7 mt -89.8 165.69 14.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -140.92 150.51 43.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.432 ' OE2' ' NZ ' ' A' ' 39' ' ' LYS . 7.7 tt0 -152.42 131.64 12.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.474 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 14.5 t -141.9 161.68 37.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.708 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 53.7 t80 -123.25 146.34 47.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -130.12 94.9 3.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.474 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -62.77 -30.51 71.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.855 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -42.8 -47.28 5.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 t -119.37 2.99 11.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.498 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 13.0 mtt85 62.71 33.45 15.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 31' ' ' VAL . 53.7 t -116.59 134.02 61.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.708 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 58.2 m-85 -94.2 134.75 36.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.722 HG23 ' HD2' ' A' ' 30' ' ' LYS . 5.0 m -114.62 123.24 48.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.551 ' HE2' HG21 ' A' ' 31' ' ' VAL . 8.2 m-85 -120.82 125.08 46.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.449 ' HG2' HD13 ' A' ' 28' ' ' ILE . 5.1 mt-10 -113.12 167.42 10.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 42.1 ttp -136.2 103.11 5.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.848 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.03 127.67 34.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.512 HG12 HD12 ' A' ' 60' ' ' LEU . 2.1 mt -119.28 105.58 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.652 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.1 mp -91.05 139.7 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.5 mttp 53.44 46.44 26.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.64 117.11 2.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -90.83 161.28 15.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.66 -11.63 3.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -86.87 -17.41 33.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -74.24 -17.92 60.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.119 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -81.94 108.66 15.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -170.56 -139.64 2.8 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -104.13 114.26 28.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 110.85 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.58 ' CB ' ' CE2' ' A' ' 105' ' ' PHE . 3.0 m-85 -102.92 136.71 42.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -128.65 125.88 39.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.446 ' C ' ' OE1' ' A' ' 93' ' ' GLU . 27.7 p -106.63 149.75 26.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.446 ' OE1' ' C ' ' A' ' 92' ' ' CYS . 33.7 mp0 -144.73 123.62 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.3 t -123.16 104.03 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.42 127.15 38.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.53 ' CD2' ' OD1' ' A' ' 98' ' ' ASP . 3.7 t80 -117.97 -178.13 3.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 97' ' ' LYS . 4.2 mmmt -71.74 -58.27 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.53 ' OD1' ' CD2' ' A' ' 96' ' ' TYR . 0.2 OUTLIER -62.39 -72.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.862 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.461 ' CD ' ' HB2' ' A' ' 98' ' ' ASP . 0.3 OUTLIER -132.13 169.13 16.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.443 ' CZ ' ' HB3' ' A' ' 102' ' ' SER . 0.1 OUTLIER -119.63 150.71 39.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -142.5 151.15 41.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 84.1 p -147.46 171.65 15.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 2.4 t -154.96 171.13 20.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 94.8 p -138.91 147.67 42.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.58 ' CE2' ' CB ' ' A' ' 90' ' ' TYR . 1.3 p90 -153.85 -176.97 6.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -135.41 140.4 44.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.715 HD23 ' H ' ' A' ' 108' ' ' GLU . 1.2 tt -112.36 142.12 45.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.715 ' H ' HD23 ' A' ' 107' ' ' LEU . 26.1 mt-10 -119.77 145.87 46.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 1.119 HG23 ' HB2' ' A' ' 87' ' ' ALA . 60.3 t -131.96 121.65 47.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -103.09 144.66 31.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -65.05 129.22 38.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 38.1 t -75.35 56.98 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 25.1 p -108.57 151.25 26.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.169 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -154.12 33.22 0.72 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.542 ' O ' HG23 ' A' ' 115' ' ' THR . 8.8 t -92.64 115.84 28.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.887 0.375 . . . . 0.0 111.178 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 20.5 p -150.89 143.79 16.62 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.592 0.71 . . . . 0.0 111.133 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 169.5 18.82 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.724 2.283 . . . . 0.0 112.327 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -104.05 149.85 24.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 64.0 mt -144.37 135.51 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -117.98 170.69 8.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 34.7 m -76.88 -20.18 56.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 68.23 69.27 1.41 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 102.71 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.368 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 44.5 m -72.49 -57.23 4.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 79.2 p -59.31 120.8 9.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.7 p -167.37 114.52 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 110.856 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -109.12 120.91 43.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.27 139.95 15.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 m -106.67 -50.17 3.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 t -99.48 150.32 22.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.836 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.3 -161.69 1.07 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.47 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.4 pt -130.83 138.12 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.144 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.458 HD23 ' CE ' ' A' ' 99' ' ' LYS . 1.5 tm? -96.7 -53.03 3.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.745 ' HZ ' ' HB1' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -85.86 88.2 7.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.451 HD13 ' HB2' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -55.75 -52.36 49.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.567 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 9.0 tm-20 -93.91 147.28 23.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -133.73 120.76 15.67 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.628 0.727 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 112.4 3.08 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.686 2.257 . . . . 0.0 112.316 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 16' ' ' GLY . 50.2 mm-40 -86.25 35.02 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 15' ' ' GLN . . . 34.93 -153.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.459 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.523 ' O ' HD22 ' A' ' 107' ' ' LEU . . . 171.27 -155.44 24.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.691 HG23 ' CB ' ' A' ' 108' ' ' GLU . 6.5 m -137.96 114.49 10.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.82 0.343 . . . . 0.0 111.149 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.5 p -111.41 142.37 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.51 154.49 38.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 110' ' ' HIS . 52.7 t -61.74 117.22 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.58 -11.03 63.03 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.49 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -79.2 -176.49 5.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -131.44 122.1 25.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.5 tt -124.88 152.62 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.2 m -135.6 132.79 37.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.522 ' CE1' ' HE3' ' A' ' 77' ' ' MET . 25.8 m-85 -99.91 152.47 20.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.5 mm -110.01 135.57 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.745 ' HB1' ' HZ ' ' A' ' 10' ' ' PHE . . . -154.45 112.66 3.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -113.1 159.99 18.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.411 HG11 ' CG ' ' A' ' 40' ' ' PRO . 4.9 p -139.75 144.83 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HB2' HD13 ' A' ' 11' ' ' ILE . 2.5 tptt -75.83 124.77 27.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -129.44 136.92 50.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.09 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -105.1 -42.56 5.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.22 160.99 14.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.507 HD22 ' CZ ' ' A' ' 66' ' ' PHE . 23.7 mt -101.37 -40.07 7.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.481 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.3 mm? -54.09 -40.77 67.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -86.75 144.73 26.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.506 ' HG2' ' CE2' ' A' ' 73' ' ' TYR . 14.9 mtmm -137.06 120.56 11.9 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.584 0.707 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.411 ' CG ' HG11 ' A' ' 31' ' ' VAL . 54.0 Cg_endo -69.75 120.83 7.55 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.673 2.248 . . . . 0.0 112.382 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.6 m -82.67 139.1 33.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.617 HD11 ' SG ' ' A' ' 92' ' ' CYS . 10.4 tt -121.97 123.09 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.469 ' HG2' ' CE1' ' A' ' 45' ' ' PHE . 4.3 tppt? -119.4 116.71 26.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.421 ' HB3' HD12 ' A' ' 52' ' ' LEU . 30.7 m95 -85.54 136.61 33.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.485 ' CE2' ' OD1' ' A' ' 51' ' ' ASP . 57.1 m-85 -130.86 162.66 29.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.647 ' HB2' HD21 ' A' ' 52' ' ' LEU . 9.6 tmtt? -144.87 147.91 33.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.452 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 65.19 -136.71 37.5 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.523 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.462 ' HD2' ' NE1' ' A' ' 49' ' ' TRP . 8.1 tmtm? -100.97 -52.94 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.462 ' NE1' ' HD2' ' A' ' 48' ' ' LYS . 14.9 m95 -110.84 -35.13 6.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.953 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.9 ttp -43.08 118.92 1.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.485 ' OD1' ' CE2' ' A' ' 45' ' ' PHE . 21.1 t0 -110.28 111.62 23.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.647 HD21 ' HB2' ' A' ' 46' ' ' LYS . 40.3 mt -57.19 -43.7 82.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.457 ' CB ' ' HD2' ' A' ' 43' ' ' LYS . . . -41.88 -38.29 1.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.6 t -81.15 -32.35 33.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' LEU . 35.1 mmtt -65.61 -30.55 71.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.748 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -55.82 113.68 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.088 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.51 -60.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -128.99 -56.63 1.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.835 0.35 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 80' ' ' ILE . 97.8 m-70 -74.25 -20.56 60.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.748 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.4 tp -129.01 145.2 51.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.409 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 12.8 mm-40 -148.2 124.21 10.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.9 mt -91.46 153.73 19.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -127.6 148.67 50.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -152.04 133.85 14.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.472 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 11.7 t -147.31 165.97 28.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.172 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.6 ' CD1' ' CE1' ' A' ' 73' ' ' TYR . 41.1 t80 -128.72 147.06 50.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -129.91 90.95 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -23.72 52.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -46.03 -45.27 15.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 82.7 p -126.57 4.86 6.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 32.3 mtt-85 63.51 38.98 9.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 63.7 t -123.78 130.82 73.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.6 ' CE1' ' CD1' ' A' ' 66' ' ' PHE . 6.3 m-85 -89.59 152.1 21.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.472 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 50.1 m -127.98 105.81 8.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -104.08 129.67 51.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -123.51 167.28 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.522 ' HE3' ' CE1' ' A' ' 27' ' ' PHE . 50.9 ttp -135.03 97.88 3.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -84.32 113.04 20.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.502 HG12 HD12 ' A' ' 60' ' ' LEU . 2.4 mt -103.75 114.56 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.405 ' O ' ' O ' ' A' ' 59' ' ' HIS . 2.2 mp -99.53 140.29 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.6 mttt 54.43 47.73 22.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.3 108.98 0.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -89.27 169.01 11.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.85 -19.73 19.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -75.27 -17.86 60.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -80.79 -10.02 59.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.966 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -86.19 121.59 28.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 166.1 -140.44 6.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -105.76 133.47 50.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.857 0.36 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.583 ' CB ' ' CE2' ' A' ' 105' ' ' PHE . 8.9 m-85 -112.77 147.28 37.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 47.4 ttm-85 -139.86 123.88 17.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.617 ' SG ' HD11 ' A' ' 42' ' ' ILE . 1.8 t -104.01 146.48 28.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -131.89 122.17 25.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.457 ' O ' ' CD2' ' A' ' 100' ' ' PHE . 58.5 t -130.49 122.4 52.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 m -114.54 143.78 44.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.503 ' O ' ' C ' ' A' ' 97' ' ' LYS . 7.8 t80 -138.99 178.45 7.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.503 ' C ' ' O ' ' A' ' 96' ' ' TYR . 46.9 mttt -28.87 -74.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -132.88 26.26 4.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.458 ' CE ' HD23 ' A' ' 9' ' ' LEU . 18.1 mtpt -136.81 142.4 42.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.457 ' CD2' ' O ' ' A' ' 94' ' ' VAL . 7.3 t80 -145.3 150.52 36.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -156.21 143.57 19.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 91.3 p -136.44 124.62 23.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.834 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 46.1 t -107.93 136.54 47.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 62.2 p -111.12 129.24 55.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.583 ' CE2' ' CB ' ' A' ' 90' ' ' TYR . 1.5 p90 -131.41 167.29 19.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -119.2 122.94 43.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.523 HD22 ' O ' ' A' ' 17' ' ' GLY . 3.0 tm? -103.83 129.91 51.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.691 ' CB ' HG23 ' A' ' 18' ' ' THR . 28.5 mt-10 -107.92 147.22 31.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.966 HG23 ' HB2' ' A' ' 87' ' ' ALA . 38.7 t -128.44 117.4 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.404 ' O ' HG23 ' A' ' 21' ' ' VAL . 22.4 m170 -102.96 144.29 31.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -66.61 125.08 24.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.4 t -69.96 -54.71 12.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.829 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 36.4 p -67.31 160.51 27.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.167 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -56.77 151.33 25.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.529 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 46.0 p -138.92 168.46 19.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.893 0.378 . . . . 0.0 111.111 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 70.0 p -124.47 151.19 66.54 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.573 0.701 . . . . 0.0 111.151 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 137.48 35.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.235 . . . . 0.0 112.303 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -90.93 174.13 7.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 40.0 mt -89.35 114.91 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -98.96 141.13 32.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.9 m -72.93 177.06 5.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -127.65 165.47 20.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 175.74 7.7 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.691 2.261 . . . . 0.0 112.34 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 54.1 p -174.96 152.09 1.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 47.7 t -161.28 138.44 8.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.916 HD11 ' HD2' ' A' ' 32' ' ' LYS . 74.4 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.739 0.304 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.38 159.19 15.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -131.31 145.09 56.15 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.536 0.684 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 94.72 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.388 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -70.77 104.71 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.7 164.26 0.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.438 ' O ' HD22 ' A' ' 107' ' ' LEU . . . -155.78 -152.68 6.29 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.477 HG23 ' CB ' ' A' ' 108' ' ' GLU . 19.3 m -138.59 114.97 10.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.362 . . . . 0.0 111.177 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.5 p -111.69 142.14 25.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -74.23 156.58 37.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 110' ' ' HIS . 54.1 t -63.69 117.28 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.56 -10.18 62.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.527 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -80.75 -179.09 7.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -129.13 120.51 25.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.3 tt -121.36 151.69 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.4 m -132.8 144.34 50.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -112.49 157.49 21.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.5 mm -117.45 138.69 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -156.13 113.82 3.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -113.64 158.04 21.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.6 ' O ' HG13 ' A' ' 72' ' ' VAL . 12.8 p -138.63 141.54 36.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.916 ' HD2' HD11 ' A' ' 11' ' ' ILE . 3.4 tptm -76.02 117.24 17.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -115.65 150.12 37.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -118.53 -41.93 2.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -92.77 160.78 14.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.458 HD22 ' HZ ' ' A' ' 66' ' ' PHE . 24.2 mt -109.82 -38.56 5.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.432 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.8 mm? -55.83 -36.15 67.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? -98.36 150.57 21.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -138.65 126.27 13.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.552 0.691 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 147.68 63.28 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.652 2.235 . . . . 0.0 112.36 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.3 m -112.24 137.36 50.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.3 tt -113.01 138.04 43.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -127.68 117.62 22.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.429 ' CE3' ' SD ' ' A' ' 77' ' ' MET . 54.8 m95 -89.6 136.56 32.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.489 ' CE1' ' CG ' ' A' ' 51' ' ' ASP . 65.8 m-85 -129.78 172.04 12.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.56 ' HD3' ' CE1' ' A' ' 90' ' ' TYR . 26.1 tptp -156.82 146.41 20.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.26 -132.93 30.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.576 ' HB3' ' CD1' ' A' ' 49' ' ' TRP . 1.1 tmtp? -104.3 -50.09 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.75 0.309 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.576 ' CD1' ' HB3' ' A' ' 48' ' ' LYS . 4.2 m95 -114.26 -35.65 4.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.561 ' CE ' HD23 ' A' ' 52' ' ' LEU . 3.3 ttp -42.49 116.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.507 ' OD2' ' HB3' ' A' ' 53' ' ' ALA . 26.3 t0 -109.48 101.73 10.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.561 HD23 ' CE ' ' A' ' 50' ' ' MET . 64.0 mt -47.89 -34.42 8.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.507 ' HB3' ' OD2' ' A' ' 51' ' ' ASP . . . -44.47 -52.55 7.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.061 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.64 -19.68 55.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -76.79 -23.43 52.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.603 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -63.29 111.44 2.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.71 -52.23 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -129.33 -75.53 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -61.42 -17.04 52.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.603 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.6 tp -134.17 144.94 48.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -149.69 123.6 9.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.1 mt -91.03 163.76 14.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -140.32 151.18 44.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -151.76 134.39 15.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.7 t -145.71 146.68 31.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.537 ' CD1' ' CE2' ' A' ' 73' ' ' TYR . 32.3 t80 -114.2 146.82 39.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -129.32 90.86 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -22.58 62.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -53.92 -39.58 65.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 72' ' ' VAL . 5.5 t -124.42 4.35 8.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.658 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 20.5 mtt180 57.97 39.92 26.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.844 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 31' ' ' VAL . 91.4 t -128.98 133.18 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.537 ' CE2' ' CD1' ' A' ' 66' ' ' PHE . 90.6 m-85 -92.84 153.91 18.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 85.9 m -135.66 106.3 6.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -102.12 134.52 45.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -121.73 165.53 15.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.429 ' SD ' ' CE3' ' A' ' 44' ' ' TRP . 46.3 ttp -135.01 100.32 4.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -87.51 112.73 22.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.542 HG12 HD12 ' A' ' 60' ' ' LEU . 2.8 mt -103.93 110.13 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.593 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.4 mp -95.27 146.66 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.0 mttm 47.27 51.28 13.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.23 110.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -88.48 165.4 14.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.38 -12.65 2.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -83.48 -20.74 33.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.408 ' CE2' HG23 ' A' ' 79' ' ' ILE . 6.5 m-85 -72.84 -14.63 61.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.977 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -76.31 147.0 38.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 143.15 -139.39 8.9 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -114.81 126.31 54.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.56 ' CE1' ' HD3' ' A' ' 46' ' ' LYS . 8.7 m-85 -98.93 169.99 9.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -152.11 152.87 32.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 56.5 m -136.04 132.63 36.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -128.79 118.12 22.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.2 t -126.67 107.28 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -100.71 101.88 12.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.8 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.903 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -140.83 147.67 39.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 60.7 p -139.86 142.45 36.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.5 p -144.15 147.43 33.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 46.5 p -129.77 146.52 51.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.519 ' CZ ' ' CB ' ' A' ' 90' ' ' TYR . 47.2 p90 -132.86 -175.22 3.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -124.25 138.38 54.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.636 HD13 ' N ' ' A' ' 108' ' ' GLU . 3.4 tm? -125.03 136.02 53.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.636 ' N ' HD13 ' A' ' 107' ' ' LEU . 18.5 mt-10 -118.86 145.96 45.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.977 HG23 ' HB2' ' A' ' 87' ' ' ALA . 19.1 t -123.28 120.61 60.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.423 ' O ' HG23 ' A' ' 21' ' ' VAL . 18.0 m170 -103.93 144.4 31.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -68.71 121.0 15.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.833 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.434 HD13 ' HA ' ' A' ' 11' ' ' ILE . 20.7 mm . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.816 0.341 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.408 ' CB ' ' HE3' ' A' ' 30' ' ' LYS . 1.3 tp10 -94.63 160.04 14.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -128.11 149.64 71.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.523 0.678 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 85.06 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -56.33 107.44 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.31 161.68 5.35 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.486 ' O ' HD22 ' A' ' 107' ' ' LEU . . . -157.99 -159.31 9.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.466 HG21 ' NE2' ' A' ' 110' ' ' HIS . 52.4 m -134.37 115.92 14.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 0.0 111.121 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.4 p -111.02 143.2 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.83 155.82 38.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.1 t -63.64 122.39 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.67 -15.66 62.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.501 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -76.09 -175.48 3.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.892 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -131.86 121.3 23.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.5 tt -120.62 154.82 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.139 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.1 m -138.7 140.79 38.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -111.43 152.91 26.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.43 HD13 ' HG2' ' A' ' 76' ' ' GLU . 42.2 mm -114.5 134.2 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -145.05 114.24 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.408 ' HE3' ' CB ' ' A' ' 12' ' ' GLU . 13.3 mtmt -107.5 152.29 24.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.483 ' O ' HG13 ' A' ' 72' ' ' VAL . 7.1 p -139.88 132.88 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -76.14 119.37 19.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -118.69 147.59 43.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -127.15 43.51 3.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.547 ' C ' HD23 ' A' ' 36' ' ' LEU . 21.5 t0 -169.86 160.35 8.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.547 HD23 ' C ' ' A' ' 35' ' ' ASP . 7.0 mt -116.27 -28.94 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.502 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 2.1 mp -70.73 -27.63 64.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -110.83 138.04 47.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.832 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 32.3 ttmt -126.36 127.24 24.64 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.546 0.689 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 163.6 37.67 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.653 2.236 . . . . 0.0 112.351 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.3 m -132.38 138.53 47.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.6 tt -116.52 130.67 70.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.588 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 3.0 tppp? -116.53 119.26 35.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.451 ' CE3' ' CE ' ' A' ' 77' ' ' MET . 27.4 m95 -89.59 128.81 36.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.588 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 56.0 m-85 -123.43 156.52 35.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.695 ' HB2' HD21 ' A' ' 52' ' ' LEU . 22.9 tptp -134.37 143.93 47.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.02 -129.64 35.26 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.524 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.448 ' HG2' ' CE2' ' A' ' 49' ' ' TRP . 6.0 ttmt -103.78 -54.33 2.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.448 ' CE2' ' HG2' ' A' ' 48' ' ' LYS . 4.8 m95 -113.08 -33.1 6.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.4 ttp -43.03 119.8 1.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.616 ' OD2' ' HB3' ' A' ' 53' ' ' ALA . 17.3 t70 -110.32 129.44 55.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.695 HD21 ' HB2' ' A' ' 46' ' ' LYS . 18.7 mt -77.95 -32.76 51.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.616 ' HB3' ' OD2' ' A' ' 51' ' ' ASP . . . -44.41 -33.54 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.3 t -91.78 -20.72 21.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' LEU . 72.3 mmtt -77.71 -26.13 49.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.586 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -55.79 109.57 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.97 -71.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -121.16 -52.55 2.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.465 ' CE1' ' HE2' ' A' ' 83' ' ' LYS . 5.9 m-70 -77.66 -13.04 60.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.586 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.1 tp -141.63 143.92 33.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.932 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.418 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 11.2 mm-40 -148.9 123.62 9.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.8 mt -89.98 162.73 15.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -143.44 146.87 33.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -151.23 136.81 17.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.2 t -146.12 155.66 42.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.53 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 35.4 t80 -121.99 143.4 49.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -124.76 94.05 4.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.458 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -62.17 -27.32 68.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -49.9 -40.95 44.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.8 m -123.38 2.64 9.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 59.32 53.13 5.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 31' ' ' VAL . 89.4 t -141.05 140.02 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.53 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 18.1 m-85 -100.96 145.6 28.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 94.3 m -125.42 108.43 11.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -102.76 141.2 35.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.43 ' HG2' HD13 ' A' ' 28' ' ' ILE . 6.7 mt-10 -131.66 163.91 27.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.451 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 44.0 ttp -134.71 98.32 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -85.38 110.97 19.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.573 HG12 HD12 ' A' ' 60' ' ' LEU . 2.6 mt -103.11 103.5 15.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.694 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.1 mp -88.6 142.89 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.2 mttt 49.39 47.55 22.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.9 115.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.474 ' HG3' ' CE1' ' A' ' 86' ' ' PHE . 44.6 mttt -87.65 162.82 16.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.07 -15.51 9.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -83.1 -18.63 38.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.474 ' CE1' ' HG3' ' A' ' 83' ' ' LYS . 5.2 m-85 -71.29 -14.06 62.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.971 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -78.14 152.72 32.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 138.71 -137.71 8.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -114.82 130.97 56.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.567 ' CE1' ' HD3' ' A' ' 46' ' ' LYS . 8.6 m-85 -104.96 156.87 17.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.9 ttp85 -148.16 123.65 10.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 14.7 p -116.48 139.72 50.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.525 ' OE1' ' CE2' ' A' ' 45' ' ' PHE . 12.4 mt-10 -125.54 118.36 25.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 90.2 t -120.9 108.08 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.761 HG23 ' HB2' ' A' ' 100' ' ' PHE . 3.5 m -107.08 118.97 38.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 11.9 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.761 ' HB2' HG23 ' A' ' 95' ' ' THR . 2.8 t80 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.853 0.358 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -128.72 146.5 50.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.5 m -142.75 163.84 31.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 31.6 p -163.48 157.94 20.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 59.6 p -123.34 146.21 48.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.619 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 0.1 OUTLIER -130.2 -176.01 3.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -131.68 130.99 42.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.486 HD22 ' O ' ' A' ' 17' ' ' GLY . 2.7 tm? -125.82 121.91 34.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -105.36 159.2 16.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.971 HG23 ' HB2' ' A' ' 87' ' ' ALA . 23.5 t -133.36 124.83 49.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.466 ' NE2' HG21 ' A' ' 18' ' ' THR . 18.6 m170 -103.99 143.08 33.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.807 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -66.12 122.6 17.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.0 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.84 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.6 HG23 ' N ' ' A' ' 12' ' ' GLU . 3.2 tp . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.785 0.326 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.6 ' N ' HG23 ' A' ' 11' ' ' ILE . 8.7 tp10 -114.73 154.34 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt -122.22 142.15 36.15 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.583 0.706 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.408 ' HG2' ' CD1' ' A' ' 105' ' ' PHE . 54.0 Cg_endo -69.74 101.34 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.248 . . . . 0.0 112.368 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -71.45 116.42 11.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.81 162.7 8.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.7 -150.83 5.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.525 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.503 HG23 ' HB3' ' A' ' 108' ' ' GLU . 3.8 m -142.54 115.1 8.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 111.149 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.9 p -114.78 141.54 30.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' CB ' ' OE1' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -74.31 155.1 38.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 110' ' ' HIS . 53.6 t -64.2 121.36 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.087 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.62 -4.44 69.22 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.405 ' OE1' ' CB ' ' A' ' 20' ' ' LYS . 30.1 mt-10 -88.37 -176.61 5.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -126.17 128.64 47.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.8 tt -131.08 153.21 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.5 m -138.64 139.58 38.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.558 ' HZ ' HD13 ' A' ' 107' ' ' LEU . 78.8 m-85 -108.51 155.48 20.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.529 HD13 ' HG2' ' A' ' 76' ' ' GLU . 35.3 mm -111.15 141.02 27.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.45 116.79 5.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -108.7 148.48 30.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.8 t -138.09 130.37 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -75.92 128.96 36.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.73 164.36 26.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.063 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -123.62 -42.81 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.35 135.91 33.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.87 -42.79 23.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.9 mt -56.62 -59.46 4.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -63.69 132.6 51.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.408 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 25.5 ttpt -129.89 119.61 19.06 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.522 0.677 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 163.49 38.08 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.383 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.2 m -125.39 133.53 52.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 12.4 tt -107.83 128.92 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.144 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.463 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 3.2 tppt? -118.21 121.16 39.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.426 ' CE2' ' HB2' ' A' ' 77' ' ' MET . 17.6 m95 -93.34 129.1 39.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.463 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 51.3 m-85 -121.71 154.35 36.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.764 ' HB2' HD21 ' A' ' 52' ' ' LEU . 25.4 tptp -125.8 147.39 49.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.22 -131.93 50.16 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -104.34 -48.02 3.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 5.3 m95 -116.03 -31.38 5.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.7 ttp -42.86 124.32 3.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -106.32 136.57 45.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.764 HD21 ' HB2' ' A' ' 46' ' ' LYS . 80.1 mt -89.84 -40.45 12.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -42.9 -32.42 0.63 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.7 t -83.41 -31.77 26.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' LEU . 38.3 mmtt -71.22 -28.76 64.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.526 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -54.42 110.45 0.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.435 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . -171.8 -73.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.45 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -117.39 -38.75 3.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.826 0.346 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.508 ' CE1' ' NZ ' ' A' ' 83' ' ' LYS . 11.4 m-70 -92.09 -15.8 27.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.587 HD12 HG12 ' A' ' 79' ' ' ILE . 5.0 tp -139.85 145.22 37.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 56.7 mm-40 -148.77 122.87 9.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.1 mt -95.19 153.51 17.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -130.92 150.18 52.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -150.12 134.11 16.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 74' ' ' THR . 12.1 t -143.15 154.12 43.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.681 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 57.6 t80 -119.67 147.6 44.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -129.62 96.5 4.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -22.3 66.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -43.64 -64.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t -111.74 6.46 19.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.4 mtt85 66.31 45.71 2.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.2 t -125.74 139.82 50.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.681 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 64.2 m-85 -99.85 150.55 22.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.567 ' O ' HG22 ' A' ' 65' ' ' THR . 87.6 m -132.72 101.69 5.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.138 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -102.58 139.63 37.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.529 ' HG2' HD13 ' A' ' 28' ' ' ILE . 42.6 mt-10 -125.38 166.61 16.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.512 ' SD ' ' CG1' ' A' ' 79' ' ' ILE . 12.0 tmm? -135.04 99.77 4.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -83.79 138.18 33.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.587 HG12 HD12 ' A' ' 60' ' ' LEU . 2.3 mt -126.78 101.32 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.663 ' H ' HD12 ' A' ' 80' ' ' ILE . 0.9 OUTLIER -88.56 141.41 14.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 179.842 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.427 ' HB2' ' ND1' ' A' ' 59' ' ' HIS . 14.9 mttp 50.7 45.77 26.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.55 126.77 10.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.076 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.508 ' NZ ' ' CE1' ' A' ' 59' ' ' HIS . 23.0 mttm -99.68 162.29 13.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.92 -16.55 12.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -82.8 -18.99 38.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -72.61 -16.01 61.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.111 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -75.45 142.69 42.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 143.27 -141.77 10.77 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -107.48 134.67 50.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.582 ' CE2' HD11 ' A' ' 52' ' ' LEU . 26.4 m-85 -110.96 170.2 8.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -151.06 148.45 28.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.3 p -139.31 117.79 12.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.414 ' HG2' ' CB ' ' A' ' 102' ' ' SER . 36.2 mt-10 -113.07 120.21 40.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.4 t -120.29 106.21 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.163 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.6 p -95.76 131.7 41.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 9.4 t80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.866 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.871 0.367 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -139.16 156.79 46.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.414 ' CB ' ' HG2' ' A' ' 93' ' ' GLU . 70.7 p -146.28 148.03 32.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 7.5 t -129.02 168.68 15.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 94.0 p -140.84 139.58 34.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.479 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 1.2 p90 -130.52 -177.27 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.4 128.45 41.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.558 HD13 ' HZ ' ' A' ' 27' ' ' PHE . 29.9 tp -110.97 159.13 18.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.503 ' HB3' HG23 ' A' ' 18' ' ' THR . 21.5 mt-10 -134.49 148.09 50.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 1.111 HG23 ' HB2' ' A' ' 87' ' ' ALA . 16.6 t -127.43 122.86 60.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.163 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.439 ' NE2' HG21 ' A' ' 18' ' ' THR . 16.1 m170 -103.35 141.62 35.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -67.56 120.73 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.748 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.536 HG22 ' N ' ' A' ' 12' ' ' GLU . 15.1 mm . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.828 0.347 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.536 ' N ' HG22 ' A' ' 11' ' ' ILE . 8.4 tp10 -86.91 136.32 32.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -118.43 142.52 31.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.578 0.704 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 82.71 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.392 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -58.84 112.07 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.58 156.93 34.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.452 ' O ' HD22 ' A' ' 107' ' ' LEU . . . -149.16 -147.22 4.48 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.522 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.691 HG23 ' CB ' ' A' ' 108' ' ' GLU . 5.7 m -139.94 116.11 10.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 111.134 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.1 p -111.1 139.59 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.439 ' HB3' ' CD ' ' A' ' 23' ' ' GLU . 1.6 tppp? -73.5 152.82 40.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.3 t -60.43 119.19 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.74 -17.73 57.9 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.507 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 1.6 mp0 -75.9 -178.44 4.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.892 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 2.3 p-10 -128.57 132.1 48.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.829 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.2 tt -129.66 154.05 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.3 m -134.96 129.27 33.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -102.0 136.79 41.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.548 HD13 ' HG2' ' A' ' 76' ' ' GLU . 32.1 mm -99.02 125.83 52.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.5 111.61 4.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.076 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.459 ' HE3' ' CB ' ' A' ' 12' ' ' GLU . 2.0 ptpt -128.22 142.43 51.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.69 ' O ' HG13 ' A' ' 72' ' ' VAL . 4.2 p -111.76 149.8 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -75.63 133.61 40.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.57 163.75 27.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -132.23 -48.43 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -89.34 161.42 16.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.2 mt -104.44 -39.6 6.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.9 mm? -51.46 -44.65 62.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -85.67 155.95 20.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.41 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 27.3 ttmt -144.37 119.89 6.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.701 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.446 ' HD2' ' CE1' ' A' ' 73' ' ' TYR . 54.2 Cg_endo -69.7 127.7 15.01 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.679 2.252 . . . . 0.0 112.364 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 56.5 m -88.37 142.41 27.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.9 tt -126.34 149.0 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.102 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.604 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 2.4 tppp? -144.18 137.52 27.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -105.35 133.1 50.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.604 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 64.7 m-85 -130.11 162.39 28.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' A' ' 47' ' ' GLY . 14.2 tmtt? -151.22 144.68 24.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.425 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 70.19 -132.48 23.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HG2' ' CD1' ' A' ' 49' ' ' TRP . 24.2 ttpt -104.54 -52.64 2.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.779 0.323 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.562 ' CD1' ' HG2' ' A' ' 48' ' ' LYS . 65.0 m95 -114.23 -34.56 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.615 ' HE2' HD23 ' A' ' 52' ' ' LEU . 2.2 ttp -41.87 113.57 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -108.56 100.89 10.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.615 HD23 ' HE2' ' A' ' 50' ' ' MET . 36.7 mt -47.1 -42.93 19.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.486 ' CB ' ' HD2' ' A' ' 43' ' ' LYS . . . -41.4 -49.7 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 p -78.12 -29.54 48.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt -66.85 -31.34 71.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.683 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -54.17 118.64 4.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -163.14 -57.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.454 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -132.2 -63.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -65.71 -28.14 68.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.683 HD23 ' CA ' ' A' ' 56' ' ' ALA . 3.9 tp -120.48 146.54 46.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.415 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 32.7 mm-40 -148.98 126.37 11.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.7 mt -97.81 157.42 16.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -130.34 150.4 51.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -152.7 126.41 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 74' ' ' THR . 6.5 t -141.5 162.81 34.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.428 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 61.5 t80 -132.39 144.95 50.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 71' ' ' ARG . 33.2 mp0 -124.24 105.33 9.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.454 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -68.17 -37.34 80.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.431 ' CD2' ' HB3' ' A' ' 67' ' ' GLU . 1.4 p-80 -54.36 -36.21 63.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.0 p -112.22 -9.16 13.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 67' ' ' GLU . 14.2 mtt85 56.73 51.57 10.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.69 HG13 ' O ' ' A' ' 31' ' ' VAL . 91.7 t -143.1 135.25 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.591 ' HB3' ' CZ ' ' A' ' 75' ' ' PHE . 76.3 m-85 -90.26 124.12 34.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.499 ' O ' HG22 ' A' ' 65' ' ' THR . 62.3 m -106.93 106.85 17.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.138 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.591 ' CZ ' ' HB3' ' A' ' 73' ' ' TYR . 14.3 m-85 -104.39 142.71 34.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.548 ' HG2' HD13 ' A' ' 28' ' ' ILE . 6.6 mt-10 -135.77 167.07 21.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 31.3 ttp -136.7 102.71 4.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 61' ' ' GLN . 2.8 tt0 -89.04 111.46 22.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.524 HG12 HD12 ' A' ' 60' ' ' LEU . 3.1 mt -102.53 117.9 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.4 mp -103.53 130.47 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.1 mttt 64.05 45.66 4.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.89 112.67 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -89.84 166.07 13.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.34 -24.03 41.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.43 -16.57 61.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.408 ' O ' HD12 ' A' ' 107' ' ' LEU . 3.1 m-85 -79.87 -10.26 59.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.055 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -88.42 118.99 28.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 170.19 -123.99 1.1 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.445 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -116.66 138.54 51.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 9.2 m-85 -122.29 144.74 48.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -130.93 158.02 41.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 7.1 t -139.58 128.9 24.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -118.11 130.71 56.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 94' ' ' VAL . 13.3 p -140.99 115.0 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.9 m -110.13 141.17 43.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.159 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 5.3 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 22.4 t80 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.866 0.365 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -135.72 154.61 51.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 52.1 p -136.4 123.16 21.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 16.2 t -124.34 126.34 45.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 100.0 p -112.33 149.51 32.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 90' ' ' TYR . 1.9 p90 -135.22 176.77 8.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -118.37 131.87 56.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.452 HD22 ' O ' ' A' ' 17' ' ' GLY . 1.9 tm? -117.78 131.72 56.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.691 ' CB ' HG23 ' A' ' 18' ' ' THR . 2.0 mp0 -111.64 153.31 26.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 1.055 HG23 ' HB2' ' A' ' 87' ' ' ALA . 21.8 t -136.48 117.39 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -103.0 143.89 31.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.97 128.08 34.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.802 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.45 HG23 ' N ' ' A' ' 12' ' ' GLU . 4.6 tp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.774 0.321 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.45 ' N ' HG23 ' A' ' 11' ' ' ILE . 9.7 tm-20 -123.78 142.27 51.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -130.2 145.12 55.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.608 0.718 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 120.95 7.66 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -90.38 17.47 7.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 48.89 -178.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.525 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -174.37 -148.22 6.47 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.429 HG21 ' NE2' ' A' ' 110' ' ' HIS . 16.9 m -142.32 125.38 16.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.805 0.336 . . . . 0.0 111.172 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.7 p -123.49 143.03 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -73.86 153.17 39.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.99 117.61 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.143 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.85 -9.82 62.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -82.14 -178.43 7.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -128.49 126.11 39.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.7 tt -127.01 152.78 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 m -132.55 135.6 46.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -105.5 154.59 20.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.401 HD13 ' HG2' ' A' ' 76' ' ' GLU . 38.9 mm -113.04 136.44 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -157.4 112.82 2.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.117 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -114.7 169.28 9.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.644 ' O ' HG13 ' A' ' 72' ' ' VAL . 9.6 p -146.52 138.14 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -76.19 114.27 14.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.03 167.83 9.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.065 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -133.81 -43.88 0.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.46 ' OD1' ' C ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -97.86 156.11 16.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.8 mt -101.36 -47.24 4.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.9 mt -43.03 -47.25 5.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -90.43 153.78 20.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt -141.68 123.19 8.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.571 0.7 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 148.87 66.05 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.646 2.23 . . . . 0.0 112.359 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.6 m -114.4 139.52 49.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.204 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.675 ' HA ' HG12 ' A' ' 94' ' ' VAL . 5.7 tt -109.02 151.86 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -142.58 117.05 9.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -89.37 134.52 34.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.472 ' CE1' ' OD1' ' A' ' 51' ' ' ASP . 67.5 m-85 -126.12 171.74 10.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.455 ' HD3' ' N ' ' A' ' 47' ' ' GLY . 11.1 tmtt? -162.15 145.88 12.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.455 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 69.55 -132.44 24.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.52 ' HD2' ' CE2' ' A' ' 49' ' ' TRP . 6.5 tmtm? -104.4 -55.89 2.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.52 ' CE2' ' HD2' ' A' ' 48' ' ' LYS . 17.8 m95 -112.15 -31.81 6.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.496 ' CE ' HD23 ' A' ' 52' ' ' LEU . 5.9 ttp -42.78 118.65 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.589 ' OD2' ' HB3' ' A' ' 53' ' ' ALA . 18.5 t70 -112.77 101.96 10.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.496 HD23 ' CE ' ' A' ' 50' ' ' MET . 33.7 mt -49.75 -39.23 36.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.589 ' HB3' ' OD2' ' A' ' 51' ' ' ASP . . . -43.1 -49.12 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 p -79.47 -20.82 46.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt -74.03 -28.89 61.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.601 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -55.36 119.84 6.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -164.16 -68.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.439 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -123.07 -63.68 1.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -64.0 -29.19 70.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.601 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.9 tp -121.06 146.15 47.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.401 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 35.4 mm-40 -148.42 124.31 10.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.0 mt -94.71 162.44 13.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -138.37 145.57 41.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -152.19 126.05 9.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.597 HG23 ' OE2' ' A' ' 67' ' ' GLU . 15.1 t -138.08 166.27 24.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.453 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 39.2 t80 -128.01 144.14 51.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.597 ' OE2' HG23 ' A' ' 65' ' ' THR . 12.8 mp0 -126.05 95.61 4.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.459 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -63.66 -28.89 70.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -51.29 -37.78 49.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.8 m -123.06 -0.23 8.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 31.7 mtm-85 59.5 48.58 9.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 31' ' ' VAL . 87.4 t -139.17 133.19 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.574 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 37.6 m-85 -90.57 137.77 32.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.513 ' O ' HG22 ' A' ' 65' ' ' THR . 16.4 m -115.32 106.0 13.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 73' ' ' TYR . 7.8 m-85 -105.45 133.45 50.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.401 ' HG2' HD13 ' A' ' 28' ' ' ILE . 20.9 mt-10 -125.03 167.29 14.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 47.1 ttp -134.85 99.37 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -88.32 111.85 22.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.949 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.49 HG12 HD12 ' A' ' 60' ' ' LEU . 2.8 mt -103.16 117.0 47.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.452 HG22 ' HG3' ' A' ' 81' ' ' LYS . 2.3 mp -102.86 130.89 52.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.452 ' HG3' HG22 ' A' ' 80' ' ' ILE . 18.2 mttm 61.04 52.83 3.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.68 112.63 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.083 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -86.91 168.3 13.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.3 -10.86 3.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -85.97 -16.29 38.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -78.71 -6.39 55.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.018 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -90.4 124.98 35.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.067 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 166.05 -134.43 3.29 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -116.73 123.72 47.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.624 ' CB ' ' CE2' ' A' ' 105' ' ' PHE . 3.7 m-85 -101.32 159.28 15.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -152.8 123.71 7.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.0 p -115.42 137.58 51.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.462 ' HG2' ' CB ' ' A' ' 102' ' ' SER . 30.7 mt-10 -134.4 132.19 39.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.675 HG12 ' HA ' ' A' ' 42' ' ' ILE . 3.3 m -134.75 117.5 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.0 m -100.47 113.39 26.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.1 t80 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 -179.906 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -137.68 148.26 45.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.462 ' CB ' ' HG2' ' A' ' 93' ' ' GLU . 59.6 p -145.6 168.26 21.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 30.8 p -147.73 -178.87 6.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.9 m -140.99 143.86 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.624 ' CE2' ' CB ' ' A' ' 90' ' ' TYR . 0.5 OUTLIER -142.78 -176.79 5.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.3 150.93 49.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -130.55 129.87 43.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.4 ' CB ' HG23 ' A' ' 18' ' ' THR . 40.2 mt-10 -107.53 147.18 30.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 1.018 HG23 ' HB2' ' A' ' 87' ' ' ALA . 38.6 t -128.25 122.19 57.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.429 ' NE2' HG21 ' A' ' 18' ' ' THR . 17.5 m170 -103.29 140.98 36.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -64.48 123.63 19.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.846 -179.776 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.706 HD11 ' HB2' ' A' ' 32' ' ' LYS . 28.0 mm . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.796 0.331 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -109.55 143.17 39.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -107.99 140.31 21.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.594 0.711 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 83.11 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.735 2.29 . . . . 0.0 112.328 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -62.93 107.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.4 167.19 0.43 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.456 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.52 -146.91 4.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.489 HG23 ' CB ' ' A' ' 108' ' ' GLU . 14.1 m -142.65 110.91 6.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 0.0 111.098 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.7 p -106.07 141.66 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.94 153.65 39.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.3 t -63.11 123.16 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.16 -16.94 59.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -74.91 -175.3 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.5 p-10 -130.27 120.95 25.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.5 tt -123.04 151.54 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.2 m -134.72 141.94 46.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -107.69 153.33 23.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.487 HD13 ' HG2' ' A' ' 76' ' ' GLU . 35.9 mm -113.18 139.26 39.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.161 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -148.1 117.76 7.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.0 mtmt -116.82 148.86 40.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.925 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.491 ' O ' HG13 ' A' ' 72' ' ' VAL . 14.9 p -141.99 139.48 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.706 ' HB2' HD11 ' A' ' 11' ' ' ILE . 7.6 tptt -76.17 127.58 33.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -123.01 159.65 27.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -124.98 -44.46 1.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -93.56 131.96 38.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 40.6 mt -73.61 -50.4 21.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 mt -53.27 -47.45 69.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -72.96 143.91 47.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.475 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 33.5 ttmt -140.86 122.05 9.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.504 0.669 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.421 ' HD2' ' CE1' ' A' ' 73' ' ' TYR . 54.0 Cg_endo -69.78 139.55 40.41 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 65.8 m -97.61 144.69 27.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.721 HD11 ' SG ' ' A' ' 92' ' ' CYS . 11.8 tt -123.93 147.91 28.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.59 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 1.7 tppp? -136.33 126.74 26.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.404 ' HB3' HD12 ' A' ' 52' ' ' LEU . 42.9 m95 -96.72 124.87 40.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.59 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 64.0 m-85 -122.02 170.34 9.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 47' ' ' GLY . 11.0 tmtt? -160.56 145.67 14.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.411 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 70.24 -131.04 22.18 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.506 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.553 ' HB3' ' CD1' ' A' ' 49' ' ' TRP . 3.8 tmtp? -104.23 -56.51 2.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.758 0.313 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.553 ' CD1' ' HB3' ' A' ' 48' ' ' LYS . 4.3 m95 -113.41 -30.53 6.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.941 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.586 ' CE ' HD23 ' A' ' 52' ' ' LEU . 2.8 ttp -43.74 114.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.498 ' CG ' ' CE1' ' A' ' 45' ' ' PHE . 32.8 t0 -108.62 100.12 9.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.586 HD23 ' CE ' ' A' ' 50' ' ' MET . 42.4 mt -44.56 -34.56 2.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.925 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.456 ' HB3' ' OD2' ' A' ' 51' ' ' ASP . . . -45.87 -50.84 13.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.59 -11.96 59.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.456 ' CE ' ' HG2' ' A' ' 50' ' ' MET . 50.8 mmtt -85.1 -19.23 32.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.728 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -67.14 113.18 4.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.072 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.477 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . -154.18 -71.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.51 ' CG ' ' N ' ' A' ' 59' ' ' HIS . 2.7 ptpp? -124.16 -48.49 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.787 0.327 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.51 ' N ' ' CG ' ' A' ' 58' ' ' LYS . 78.5 m-70 -77.28 -16.93 58.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.728 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.0 tp -134.32 145.68 49.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.932 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 76.7 mm-40 -150.39 124.89 9.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.0 mt -91.05 162.59 14.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -138.2 148.39 44.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -151.64 129.04 11.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.481 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 11.7 t -140.4 157.47 45.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.172 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.515 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 35.9 t80 -128.64 144.77 51.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -127.86 91.92 3.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.452 ' HD2' ' CE2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -59.35 -24.87 63.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -52.98 -35.85 59.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.3 m -125.75 -0.58 7.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.462 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 34.5 mtm-85 60.07 45.52 11.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 31' ' ' VAL . 94.0 t -133.53 132.15 57.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 66' ' ' PHE . 85.6 m-85 -91.33 155.14 18.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.481 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 86.1 m -137.93 106.35 5.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -104.21 139.07 39.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.487 ' HG2' HD13 ' A' ' 28' ' ' ILE . 7.6 mt-10 -131.02 166.82 20.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 44.6 ttp -134.98 97.71 3.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -82.88 110.65 18.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.54 HG12 HD12 ' A' ' 60' ' ' LEU . 2.8 mt -102.42 112.14 34.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.496 ' H ' HD12 ' A' ' 80' ' ' ILE . 2.0 mp -97.68 136.34 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.169 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.4 mttt 55.74 50.64 13.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.78 115.23 1.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.081 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -89.68 173.9 8.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.84 -7.73 12.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -89.95 -12.49 38.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.564 ' O ' HD12 ' A' ' 107' ' ' LEU . 3.4 m-85 -83.52 1.1 43.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.042 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -99.49 129.72 45.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.092 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 160.43 -130.28 2.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -116.11 122.28 44.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.537 ' CB ' ' CE2' ' A' ' 105' ' ' PHE . 7.4 m-85 -102.56 135.6 43.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -125.69 121.55 33.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.721 ' SG ' HD11 ' A' ' 42' ' ' ILE . 2.9 t -114.12 138.09 50.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.468 ' OE1' ' CZ ' ' A' ' 100' ' ' PHE . 20.5 mm-40 -128.04 132.12 49.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 94' ' ' VAL . 3.4 p -125.68 113.03 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.5 m -104.42 112.48 25.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.1 t80 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 -179.906 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.468 ' CZ ' ' OE1' ' A' ' 93' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.828 0.347 . . . . 0.0 110.894 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -108.44 172.0 7.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.427 ' CB ' ' OE2' ' A' ' 93' ' ' GLU . 34.6 p -140.68 166.98 23.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 15.3 t -159.52 147.17 17.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 99.4 p -141.91 133.0 26.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.537 ' CE2' ' CB ' ' A' ' 90' ' ' TYR . 0.5 OUTLIER -136.25 179.98 6.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.858 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -128.66 125.69 38.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.596 HD13 ' N ' ' A' ' 108' ' ' GLU . 2.5 tm? -105.77 138.73 41.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.596 ' N ' HD13 ' A' ' 107' ' ' LEU . 11.6 mp0 -119.2 148.3 43.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 1.042 HG23 ' HB2' ' A' ' 87' ' ' ALA . 37.2 t -125.37 119.95 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.461 ' NE2' HG21 ' A' ' 18' ' ' THR . 18.3 m170 -103.0 141.73 35.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -63.59 120.6 12.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 29.1 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.816 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 12' ' ' GLU . 6.6 tt . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.802 0.334 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.46 ' N ' HG23 ' A' ' 11' ' ' ILE . 1.2 tp10 -106.76 153.81 21.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HG3' ' C ' ' A' ' 12' ' ' GLU . 2.9 mtmp? -142.45 136.56 14.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.711 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 119.24 6.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.319 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -92.45 27.4 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 38.28 -157.98 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.597 ' O ' HD22 ' A' ' 107' ' ' LEU . . . 171.83 -156.62 26.14 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.512 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.65 HG23 ' CB ' ' A' ' 108' ' ' GLU . 3.0 m -135.29 118.74 16.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 111.162 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.7 p -116.48 144.31 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.406 ' HD2' ' O ' ' A' ' 111' ' ' GLU . 1.0 OUTLIER -79.07 152.18 31.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 110' ' ' HIS . 80.0 t -60.67 116.56 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.133 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.78 -12.07 60.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -79.98 -177.15 5.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 110.936 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -128.68 121.75 29.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.5 tt -123.06 152.57 27.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 m -136.43 136.47 39.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.154 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -106.79 154.5 20.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.484 ' CG2' ' HE2' ' A' ' 30' ' ' LYS . 37.4 mm -115.56 134.48 58.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.088 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.41 112.72 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.069 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.484 ' HE2' ' CG2' ' A' ' 28' ' ' ILE . 21.6 mtmt -114.82 164.63 13.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.574 ' O ' HG13 ' A' ' 72' ' ' VAL . 10.0 p -140.04 144.54 27.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.161 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.9 tptt -77.08 122.02 24.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -123.73 147.1 47.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.084 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -118.66 -46.18 2.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -89.24 120.2 30.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 70.3 mt -66.56 -47.86 71.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 mt -50.19 -40.63 47.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -81.3 137.48 35.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.429 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 3.7 ttmm -130.44 120.13 18.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.611 0.719 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.4 ' HD2' ' CZ ' ' A' ' 73' ' ' TYR . 54.2 Cg_endo -69.7 168.98 19.9 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.9 m -134.28 132.24 39.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.465 ' HA ' HG22 ' A' ' 94' ' ' VAL . 6.5 tt -113.42 134.42 56.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -128.79 117.84 21.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.559 ' CE3' ' SG ' ' A' ' 92' ' ' CYS . 45.5 m95 -85.42 139.41 31.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -131.87 167.65 19.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.574 ' HD3' ' CE1' ' A' ' 90' ' ' TYR . 20.9 tptm -145.68 153.3 40.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.73 -127.2 40.89 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.508 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.614 ' HG3' ' CD1' ' A' ' 49' ' ' TRP . 16.3 tptm -102.91 -60.25 1.58 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.73 0.3 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.614 ' CD1' ' HG3' ' A' ' 48' ' ' LYS . 77.2 m95 -128.2 38.0 4.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.1 ttp -94.61 126.53 39.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -97.0 120.69 37.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.1 mt -82.95 -41.33 18.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -42.46 -42.5 3.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.2 t -72.37 -34.65 68.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -65.87 -35.27 80.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.606 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -54.24 112.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -157.88 -58.74 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -129.86 -58.24 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -70.29 -27.0 64.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.606 HD23 ' CA ' ' A' ' 56' ' ' ALA . 3.9 tp -124.55 145.5 49.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.406 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 29.5 mm-40 -148.26 125.73 11.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.7 mt -93.5 162.8 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -136.88 146.88 46.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -152.56 129.21 10.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.489 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 14.8 t -142.73 163.94 31.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.124 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.446 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 45.1 t80 -125.85 145.13 50.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -129.46 91.34 3.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.412 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -60.33 -32.48 71.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -38.02 -49.02 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.5 m -118.49 3.52 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.564 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 14.3 mtt85 62.96 41.73 8.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 31' ' ' VAL . 95.3 t -128.46 134.85 63.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.456 ' HB2' HG12 ' A' ' 31' ' ' VAL . 63.7 m-85 -90.76 152.4 20.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.489 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 11.5 m -131.49 114.53 15.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.45 ' C ' ' OE2' ' A' ' 76' ' ' GLU . 6.9 m-85 -113.93 141.2 47.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.45 ' OE2' ' C ' ' A' ' 75' ' ' PHE . 1.4 mp0 -135.04 166.82 22.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 45.2 ttp -134.96 99.98 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -85.67 108.78 18.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.523 HG12 HD12 ' A' ' 60' ' ' LEU . 2.6 mt -100.42 115.03 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.4 mp -100.22 134.77 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.5 mttt 57.54 47.89 15.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.03 114.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -89.34 166.16 13.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.32 -25.36 48.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -72.69 -16.73 61.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -78.87 -6.32 55.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.011 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -88.74 115.75 26.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 172.05 -153.13 18.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -98.28 120.52 38.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.357 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.651 ' CB ' ' CZ ' ' A' ' 105' ' ' PHE . 16.1 m-85 -98.42 150.52 21.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -134.85 156.43 48.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.559 ' SG ' ' CE3' ' A' ' 44' ' ' TRP . 1.8 m -144.51 145.32 31.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -139.68 120.56 14.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.465 HG22 ' HA ' ' A' ' 42' ' ' ILE . 85.3 t -127.49 104.37 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.776 HG23 ' HB2' ' A' ' 100' ' ' PHE . 6.2 m -94.2 118.68 31.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.5 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.888 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.776 ' HB2' HG23 ' A' ' 95' ' ' THR . 2.0 t80 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -122.7 149.46 44.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 79.5 p -145.37 139.07 26.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 50.6 m -140.35 165.62 26.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 37.5 m -142.12 164.27 30.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.651 ' CZ ' ' CB ' ' A' ' 90' ' ' TYR . 30.9 p90 -146.48 -175.67 4.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -128.68 124.7 36.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.597 HD22 ' O ' ' A' ' 17' ' ' GLY . 2.7 tm? -111.01 135.39 51.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.65 ' CB ' HG23 ' A' ' 18' ' ' THR . 38.2 mt-10 -115.11 144.46 43.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 1.011 HG23 ' HB2' ' A' ' 87' ' ' ALA . 20.6 t -124.77 116.99 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.468 ' O ' HG23 ' A' ' 21' ' ' VAL . 21.4 m170 -103.02 141.57 35.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.406 ' O ' ' HD2' ' A' ' 20' ' ' LYS . 13.2 mt-10 -62.11 128.67 37.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.757 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.919 HD11 ' HD2' ' A' ' 32' ' ' LYS . 73.4 mt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.785 0.326 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -98.48 156.95 16.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -132.32 128.06 21.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.544 0.688 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 107.49 1.88 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 16' ' ' GLY . 81.1 mm-40 -82.12 39.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 15' ' ' GLN . . . 37.94 -158.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.513 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.585 ' O ' HD22 ' A' ' 107' ' ' LEU . . . 174.22 -156.44 23.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.438 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.569 HG23 ' CB ' ' A' ' 108' ' ' GLU . 3.6 m -137.96 118.97 14.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.835 0.35 . . . . 0.0 111.175 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.8 p -115.55 141.88 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HD2' ' C ' ' A' ' 111' ' ' GLU . 1.1 tppp? -74.09 156.04 37.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 110' ' ' HIS . 62.7 t -62.59 123.95 16.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.54 -17.17 57.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.47 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -76.08 -176.6 3.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.869 -179.862 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.735 ' OD2' HG23 ' A' ' 80' ' ' ILE . 3.4 m-20 -131.16 132.38 44.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.429 ' CG1' ' N ' ' A' ' 26' ' ' THR . 10.4 tt -129.16 157.63 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.429 ' N ' ' CG1' ' A' ' 25' ' ' ILE . 5.2 m -138.06 138.08 38.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -108.17 145.21 34.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.414 HD13 ' HG2' ' A' ' 76' ' ' GLU . 36.6 mm -103.41 147.33 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.129 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -159.61 115.18 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -109.61 148.35 31.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.564 ' O ' HG13 ' A' ' 72' ' ' VAL . 98.4 t -134.55 138.65 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.919 ' HD2' HD11 ' A' ' 11' ' ' ILE . 8.6 tptt -76.63 132.91 39.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.769 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -132.6 155.57 48.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -127.88 -45.15 1.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -97.94 117.43 32.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.0 mt -56.89 -46.19 82.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 mt -54.6 -42.54 71.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.8 mmp_? -76.03 124.03 26.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -125.87 116.92 24.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.552 0.691 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 162.47 41.96 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.697 2.265 . . . . 0.0 112.36 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.1 m -120.54 140.44 51.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.1 tt -119.59 131.23 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.439 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 3.3 tppt? -130.3 115.85 17.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.662 ' HB3' HD12 ' A' ' 52' ' ' LEU . 34.8 m95 -84.67 135.25 34.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.439 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 52.1 m-85 -129.5 155.95 44.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.913 ' HB2' HD21 ' A' ' 52' ' ' LEU . 3.2 tttt -140.14 162.54 35.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.48 -127.25 43.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.509 ' HG2' ' CE2' ' A' ' 49' ' ' TRP . 19.7 ttmt -104.07 -58.4 1.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.328 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.509 ' CE2' ' HG2' ' A' ' 48' ' ' LYS . 5.2 m95 -127.91 19.31 6.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.879 ' HE1' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -77.74 129.09 35.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.492 ' N ' ' SD ' ' A' ' 50' ' ' MET . 23.5 t70 -107.39 112.38 25.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.913 HD21 ' HB2' ' A' ' 46' ' ' LYS . 15.8 mt -65.06 -32.38 74.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.475 ' HB3' ' OD2' ' A' ' 51' ' ' ASP . . . -48.6 -34.33 11.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.4 t -77.14 -31.17 55.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm -72.09 -26.13 62.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.47 114.67 2.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.28 -76.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -120.2 -38.75 2.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.771 0.32 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 80' ' ' ILE . 85.5 m-70 -81.3 -35.06 31.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.83 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.588 HD21 ' CD2' ' A' ' 62' ' ' LEU . 5.2 tt -127.67 142.0 51.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -140.12 117.18 11.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.588 ' CD2' HD21 ' A' ' 60' ' ' LEU . 14.3 mt -83.38 164.9 19.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -137.87 154.53 49.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -152.69 132.62 13.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.46 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 4.7 t -147.78 159.1 44.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -129.69 151.02 50.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -129.04 96.25 4.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -24.85 67.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -50.66 -43.56 57.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.6 m -122.31 7.2 9.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.769 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 30.7 mtm-85 56.7 37.18 28.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 31' ' ' VAL . 86.8 t -119.84 136.36 57.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -93.53 153.63 18.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.46 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 58.9 m -137.37 108.94 6.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.15 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -107.9 133.92 51.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HG2' HD13 ' A' ' 28' ' ' ILE . 6.2 mt-10 -121.53 167.73 12.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.513 ' SD ' ' CG1' ' A' ' 79' ' ' ILE . 9.9 tmm? -140.01 106.2 5.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -93.24 133.16 36.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.513 ' CG1' ' SD ' ' A' ' 77' ' ' MET . 2.0 mt -121.82 107.27 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.735 HG23 ' OD2' ' A' ' 24' ' ' ASP . 1.6 mp -92.75 131.82 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.8 mttt 66.37 49.06 1.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.09 105.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.6 mttp -82.32 165.58 20.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -60.68 -15.1 25.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.425 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 4.4 m120 -84.98 -5.22 59.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -86.98 -11.38 50.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.08 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -82.93 112.34 19.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -178.35 -149.15 7.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.522 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -105.83 118.7 37.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.578 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 8.9 m-85 -98.14 168.63 10.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -148.59 139.14 22.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 47.0 t -116.99 126.34 52.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.437 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 14.7 mp0 -123.36 122.96 39.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 62.6 t -139.28 119.63 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.8 m -103.72 157.36 17.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 6.2 t80 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.945 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 11.0 t80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.879 0.371 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -144.91 133.92 22.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.4 p -118.44 140.75 49.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 18.9 p -133.76 139.31 46.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 90.3 p -112.9 140.26 47.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 90' ' ' TYR . 2.0 p90 -124.11 -177.45 3.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.87 126.18 44.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.585 HD22 ' O ' ' A' ' 17' ' ' GLY . 2.6 tm? -115.13 127.12 55.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.569 ' CB ' HG23 ' A' ' 18' ' ' THR . 15.6 mm-40 -110.45 157.0 20.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 1.08 HG23 ' HB2' ' A' ' 87' ' ' ALA . 21.5 t -133.57 121.81 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.459 ' O ' HG23 ' A' ' 21' ' ' VAL . 21.5 m170 -103.29 146.13 28.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.4 ' C ' ' HD2' ' A' ' 20' ' ' LYS . 27.9 mt-10 -67.81 123.07 19.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 31.0 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.848 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.42 HD13 ' HA ' ' A' ' 11' ' ' ILE . 17.0 mm . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.773 0.32 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -99.04 157.1 16.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -126.65 143.17 45.5 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.578 0.704 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 97.64 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.643 2.228 . . . . 0.0 112.363 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -73.63 108.61 6.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.88 169.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.71 ' O ' HD22 ' A' ' 107' ' ' LEU . . . -161.47 -162.64 13.14 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.428 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.573 HG23 ' CB ' ' A' ' 108' ' ' GLU . 6.6 m -131.18 113.76 14.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.827 0.346 . . . . 0.0 111.15 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.0 p -109.36 139.66 31.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.435 ' HB3' ' CD ' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -73.6 149.61 41.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.7 t -59.04 119.0 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.34 -17.03 57.44 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.416 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.501 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 0.9 OUTLIER -78.89 -177.56 5.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -179.873 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.64 130.28 48.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.858 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.8 tt -129.85 152.68 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.5 m -137.91 141.23 40.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -110.17 141.92 42.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.465 HD13 ' HG2' ' A' ' 76' ' ' GLU . 33.9 mm -101.61 135.89 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -147.05 113.34 5.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -108.04 151.4 25.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 72' ' ' VAL . 13.2 t -137.98 137.28 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -75.94 127.11 32.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -124.28 164.26 19.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -128.93 -45.47 1.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -96.75 124.16 40.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.4 mt -59.4 -44.76 92.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mt -60.7 -54.56 43.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.8 mmp_? -56.7 124.36 18.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.439 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 29.6 ttmt -127.54 119.29 21.6 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.568 0.699 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 172.24 13.01 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.713 2.275 . . . . 0.0 112.33 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.2 m -129.32 131.49 46.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.119 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.535 ' HA ' HG22 ' A' ' 94' ' ' VAL . 6.9 tt -114.2 123.9 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.139 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -119.64 118.05 29.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -85.74 147.24 26.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 91' ' ' ARG . 55.3 m-85 -142.24 160.63 39.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.848 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.714 ' HB2' HD21 ' A' ' 52' ' ' LEU . 13.1 tmtt? -146.35 145.56 30.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.466 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 69.07 -133.56 26.63 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.486 ' HD3' ' NE1' ' A' ' 49' ' ' TRP . 0.1 OUTLIER -103.86 -51.17 3.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.759 0.314 . . . . 0.0 110.885 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.486 ' NE1' ' HD3' ' A' ' 48' ' ' LYS . 15.1 m95 -115.06 -33.83 5.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.8 ttp -44.14 121.8 2.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.569 ' OD2' ' HB3' ' A' ' 53' ' ' ALA . 10.5 t0 -113.45 112.94 24.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.823 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.714 HD21 ' HB2' ' A' ' 46' ' ' LYS . 36.2 mt -56.55 -38.58 72.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.569 ' HB3' ' OD2' ' A' ' 51' ' ' ASP . . . -45.11 -46.96 12.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.4 t -74.68 -28.23 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -71.49 -29.49 64.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.737 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -56.33 122.41 11.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -179.71 -53.41 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.437 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -129.06 -72.07 0.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 80' ' ' ILE . 94.9 m-70 -65.32 -15.27 62.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.737 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.5 tp -133.63 144.53 49.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.407 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 9.3 mm-40 -148.51 122.82 9.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.605 HD23 ' HG2' ' A' ' 77' ' ' MET . 16.2 mt -91.34 164.57 13.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -139.06 153.05 48.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -152.53 136.01 15.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.476 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 6.6 t -144.88 165.72 27.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.135 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.508 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 47.2 t80 -132.97 140.81 47.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -125.05 94.22 4.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.43 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -63.96 -27.93 69.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -44.27 -49.31 9.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.0 m -120.65 8.31 10.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.525 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 10.5 mtt85 56.8 51.67 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.928 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 31' ' ' VAL . 52.3 t -130.09 129.82 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.508 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 70.8 m-85 -93.35 135.31 34.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.476 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 91.3 m -121.39 116.3 24.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.168 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.466 ' CE1' ' HB3' ' A' ' 73' ' ' TYR . 15.1 m-85 -115.16 128.37 56.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.465 ' HG2' HD13 ' A' ' 28' ' ' ILE . 4.4 mt-10 -115.35 168.6 9.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.605 ' HG2' HD23 ' A' ' 62' ' ' LEU . 12.0 tmm? -141.53 105.05 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -87.43 139.87 30.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.566 HG12 HD12 ' A' ' 60' ' ' LEU . 2.2 mt -127.27 100.15 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.673 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.2 mp -86.87 143.23 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.8 mttm 49.67 48.79 21.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.74 117.89 2.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.2 mttm -93.18 166.78 12.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.59 -25.15 59.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -72.5 -16.37 61.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.464 ' O ' HD12 ' A' ' 107' ' ' LEU . 3.5 m-85 -78.07 -9.16 59.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.974 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -88.06 122.59 31.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 163.49 -152.68 22.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -92.0 128.12 37.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -108.95 136.24 48.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 45' ' ' PHE . 5.8 ttt180 -128.42 139.17 52.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 41.8 t -129.2 159.1 37.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -148.39 119.25 7.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.535 HG22 ' HA ' ' A' ' 42' ' ' ILE . 73.3 t -126.84 110.18 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.895 HG23 ' HB2' ' A' ' 100' ' ' PHE . 5.2 m -102.67 127.6 49.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.8 t80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.895 ' HB2' HG23 ' A' ' 95' ' ' THR . 1.7 t80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.898 0.38 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -116.38 153.21 32.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 79.4 p -148.64 134.51 19.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 11.2 m -152.59 135.36 15.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 98.8 p -115.63 152.5 33.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.443 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 2.2 p90 -136.93 -175.21 3.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.34 139.72 52.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.71 HD22 ' O ' ' A' ' 17' ' ' GLY . 3.4 tm? -125.44 127.76 47.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.573 ' CB ' HG23 ' A' ' 18' ' ' THR . 21.3 mt-10 -107.99 151.82 25.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.974 HG23 ' HB2' ' A' ' 87' ' ' ALA . 23.5 t -132.08 119.65 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -103.17 143.39 32.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -61.83 127.78 33.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.794 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.66 HD11 ' HD3' ' A' ' 32' ' ' LYS . 29.7 mm . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.776 0.322 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -99.92 159.12 15.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -128.98 131.05 23.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.583 0.706 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 82.7 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.694 2.263 . . . . 0.0 112.344 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -70.24 102.87 2.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.03 164.7 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.92 -143.97 3.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.495 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.59 HG23 ' CB ' ' A' ' 108' ' ' GLU . 6.0 m -142.73 118.91 10.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 111.169 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.8 p -116.19 144.89 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -76.28 153.75 35.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 110' ' ' HIS . 54.5 t -61.76 120.4 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.95 -15.92 61.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.465 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.3 179.04 6.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.902 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -126.07 122.87 37.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.9 tt -123.09 151.67 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.8 m -134.77 142.16 46.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -110.22 142.39 41.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.483 HD13 ' HG2' ' A' ' 76' ' ' GLU . 34.3 mm -101.94 138.78 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.3 114.9 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.094 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -115.91 156.23 26.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.444 ' CG1' ' HB2' ' A' ' 73' ' ' TYR . 9.8 p -141.94 138.18 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.143 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.66 ' HD3' HD11 ' A' ' 11' ' ' ILE . 3.3 tptm -77.41 117.6 19.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -115.16 152.78 31.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -116.69 -47.28 2.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -89.73 160.67 16.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.8 mt -104.53 -41.87 5.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.507 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.1 mm? -56.46 -30.87 63.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -96.55 142.77 28.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -134.07 121.44 15.68 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.557 0.694 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 118.29 5.59 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.655 2.236 . . . . 0.0 112.356 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.4 m -83.07 135.69 34.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.182 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.443 ' O ' HG23 ' A' ' 42' ' ' ILE . 7.9 tt -115.28 125.41 72.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -120.4 117.41 27.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.938 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -83.94 144.17 29.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.969 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.46 ' CE1' ' OD1' ' A' ' 51' ' ' ASP . 52.2 m-85 -140.05 164.52 29.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER -159.79 145.95 15.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.468 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 76.64 -131.38 11.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -104.31 -53.84 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.409 ' CD1' ' N ' ' A' ' 49' ' ' TRP . 0.8 OUTLIER -122.18 -25.95 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.427 ' CE ' HD23 ' A' ' 52' ' ' LEU . 6.7 ttp -43.19 129.54 4.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.46 ' OD1' ' CE1' ' A' ' 45' ' ' PHE . 42.0 t0 -117.82 106.63 13.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.427 HD23 ' CE ' ' A' ' 50' ' ' MET . 35.8 mt -53.42 -32.74 51.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -46.58 -53.74 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.28 -11.96 60.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -83.56 -32.4 25.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.728 ' N ' HD23 ' A' ' 60' ' ' LEU . . . -60.7 114.17 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.091 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 161.37 -34.88 0.39 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -100.94 -72.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.546 ' CE1' ' HD2' ' A' ' 81' ' ' LYS . 84.0 m-70 -112.45 7.05 18.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.728 HD23 ' N ' ' A' ' 56' ' ' ALA . 4.9 tp -131.28 145.64 51.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 78' ' ' GLN . 58.0 mm-40 -149.42 124.16 9.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.2 mt -96.31 165.59 12.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -139.98 149.84 43.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -151.81 129.82 11.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.463 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 13.1 t -144.36 159.2 43.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.558 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 44.4 t80 -125.54 146.58 49.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -129.51 92.23 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -33.46 71.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -39.23 -43.2 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.5 p -123.4 2.36 9.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 15.6 mtt85 62.2 43.5 8.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 31' ' ' VAL . 71.5 t -126.86 138.59 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 66' ' ' PHE . 67.3 m-85 -98.22 145.69 26.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.463 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 11.0 m -127.41 107.87 10.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 73' ' ' TYR . 9.0 m-85 -109.52 124.67 51.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.483 ' HG2' HD13 ' A' ' 28' ' ' ILE . 10.9 mt-10 -113.71 165.33 12.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 35.3 ttp -135.05 100.41 4.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' GLN . 2.4 tt0 -84.53 133.01 34.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.48 HG12 HD12 ' A' ' 60' ' ' LEU . 2.2 mt -123.76 103.82 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.645 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.3 mp -89.51 147.62 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.546 ' HD2' ' CE1' ' A' ' 59' ' ' HIS . 32.2 mttt 44.62 51.41 8.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.12 106.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.43 ' HE2' ' CD2' ' A' ' 59' ' ' HIS . 45.7 mttt -79.73 158.39 26.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.966 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.419 ' HA ' HG11 ' A' ' 109' ' ' VAL . 13.2 m-20 -56.16 -17.59 7.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -80.01 -21.65 43.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.405 ' CE2' HG23 ' A' ' 79' ' ' ILE . 5.0 m-85 -66.28 -5.93 12.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.647 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -85.69 127.59 34.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 166.04 -148.72 14.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -105.73 119.57 39.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.401 ' CE1' ' HB3' ' A' ' 107' ' ' LEU . 6.5 m-85 -98.71 157.21 16.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -151.64 127.09 10.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 13.2 p -112.26 146.82 37.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -128.07 120.2 26.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 94' ' ' VAL . 9.6 p -116.71 107.54 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.2 p -97.65 157.19 16.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 5.3 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.866 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.8 t80 . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.87 0.367 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.419 ' HB2' ' CG1' ' A' ' 94' ' ' VAL . 32.3 m-20 -129.97 157.22 42.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 55.4 p -143.78 123.02 12.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 62.4 m -123.94 162.42 23.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 90.4 p -139.73 139.41 36.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.581 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 0.1 OUTLIER -133.18 162.27 32.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -111.69 124.73 52.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.65 HD13 ' C ' ' A' ' 107' ' ' LEU . 3.2 tm? -110.36 129.47 55.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.59 ' CB ' HG23 ' A' ' 18' ' ' THR . 27.5 mt-10 -109.28 151.02 27.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.647 HG23 ' HB2' ' A' ' 87' ' ' ALA . 39.7 t -130.06 117.99 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.423 ' O ' HG23 ' A' ' 21' ' ' VAL . 20.0 m170 -103.26 144.7 31.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -63.83 130.26 43.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.811 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.556 HG23 ' N ' ' A' ' 12' ' ' GLU . 2.2 tp . . . . . 0 N--CA 1.458 -0.043 0 CA-C-O 120.789 0.328 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.556 ' N ' HG23 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -89.68 144.54 25.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.493 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 13.2 mmmt -128.5 114.94 19.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.606 0.717 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 97.43 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.311 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' A' ' 13' ' ' LYS . 19.0 mp0 -78.93 115.5 18.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.0 159.77 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.11 -157.69 7.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.518 HG23 ' HB3' ' A' ' 108' ' ' GLU . 4.4 m -137.41 114.82 11.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 111.088 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.8 p -111.51 142.99 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -76.28 150.69 36.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.0 t -59.48 114.88 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.149 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.24 -11.12 60.11 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -81.93 177.25 8.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -122.63 119.78 31.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.7 tt -116.46 153.96 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 m -136.39 132.58 35.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -109.23 133.43 53.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.59 HD13 ' HG2' ' A' ' 76' ' ' GLU . 28.6 mm -91.91 127.84 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.34 112.03 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.42 ' HG3' ' CG1' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -128.09 156.48 42.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.817 ' O ' HG13 ' A' ' 72' ' ' VAL . 2.3 p -121.86 147.34 25.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -78.86 111.91 15.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -109.6 153.28 24.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -124.18 -47.63 1.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -85.72 140.28 30.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.8 mt -82.08 -50.35 9.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 mt -47.75 -41.37 23.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -83.38 154.43 24.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -146.58 119.88 5.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.556 ' HD2' ' CE1' ' A' ' 73' ' ' TYR . 54.0 Cg_endo -69.73 166.0 29.02 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.431 ' O ' HG23 ' A' ' 94' ' ' VAL . 90.8 m -138.34 133.95 33.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.588 HD11 ' SG ' ' A' ' 92' ' ' CYS . 9.2 tt -104.2 153.65 6.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.567 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -143.56 123.29 13.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -97.72 131.07 44.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.961 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.567 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 54.1 m-85 -126.59 157.47 38.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.8 ' HB2' HD21 ' A' ' 52' ' ' LEU . 22.0 tptm -135.95 147.08 47.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.92 -131.3 42.94 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 tttt -103.85 -49.48 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.747 0.308 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 19.3 m95 -116.51 -35.04 4.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.423 ' HE2' HD23 ' A' ' 52' ' ' LEU . 2.1 ttp -42.3 113.9 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -104.13 118.21 36.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.8 HD21 ' HB2' ' A' ' 46' ' ' LYS . 38.5 mt -65.3 -41.49 94.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -42.78 -34.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.0 t -85.34 -29.7 24.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' LEU . 65.7 mmtt -71.58 -28.62 63.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.731 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -54.36 109.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -157.88 -62.26 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.518 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -126.11 -58.4 1.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.334 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 80' ' ' ILE . 87.2 m-70 -71.02 -18.67 62.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.731 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.2 tp -132.61 145.65 51.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.4 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 27.0 mm-40 -148.55 124.52 10.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.5 mt -93.15 158.12 15.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -135.21 147.3 49.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -149.99 132.85 16.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.508 HG22 ' O ' ' A' ' 74' ' ' THR . 11.2 t -146.37 152.78 39.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.558 ' HB2' ' CD2' ' A' ' 73' ' ' TYR . 31.8 t80 -119.57 139.57 51.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -121.86 88.68 2.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.458 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -53.61 -27.45 26.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -52.79 -34.55 53.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.802 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.3 m -124.61 -6.48 7.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.823 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.497 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 21.6 mtt180 64.67 47.44 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.817 HG13 ' O ' ' A' ' 31' ' ' VAL . 87.4 t -139.04 131.03 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.076 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.562 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 34.8 m-85 -89.63 121.24 31.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.508 ' O ' HG22 ' A' ' 65' ' ' THR . 34.7 m -97.48 103.92 15.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 73' ' ' TYR . 14.7 m-85 -100.78 136.52 40.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.59 ' HG2' HD13 ' A' ' 28' ' ' ILE . 15.5 mt-10 -126.94 166.81 16.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 48.1 ttp -134.94 99.04 4.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.32 111.21 20.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.536 HG12 HD12 ' A' ' 60' ' ' LEU . 2.7 mt -103.03 108.03 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.612 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.3 mp -92.92 147.44 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.5 mttt 44.63 52.07 7.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.23 124.42 17.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.065 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -99.6 175.96 5.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.13 -7.7 13.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -90.25 -15.57 31.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.405 ' CD2' ' CG2' ' A' ' 79' ' ' ILE . 3.0 m-85 -81.15 -6.42 58.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.027 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -98.13 113.14 24.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 179.31 -136.56 2.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.512 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -109.95 115.09 29.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.569 ' CE1' ' HD3' ' A' ' 46' ' ' LYS . 7.1 m-85 -95.88 151.82 19.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.466 ' NH1' ' CB ' ' A' ' 104' ' ' SER . 0.1 OUTLIER -137.63 121.35 17.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.588 ' SG ' HD11 ' A' ' 42' ' ' ILE . 36.9 t -111.28 138.67 47.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -139.04 123.04 17.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 94' ' ' VAL . 7.1 p -129.26 106.32 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.788 HG23 ' HB2' ' A' ' 100' ' ' PHE . 3.3 m -93.17 124.57 37.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 9.6 t80 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.911 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.788 ' HB2' HG23 ' A' ' 95' ' ' THR . 2.4 t80 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.882 0.372 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -117.4 153.81 32.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.0 t -147.73 158.28 43.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 30.3 p -155.95 161.86 40.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.466 ' CB ' ' NH1' ' A' ' 91' ' ' ARG . 91.2 p -139.96 157.11 46.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.555 ' CD2' ' HB2' ' A' ' 90' ' ' TYR . 1.0 OUTLIER -156.25 -178.09 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -131.08 134.6 46.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.845 HD23 ' N ' ' A' ' 108' ' ' GLU . 2.7 tt -113.61 143.24 44.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.845 ' N ' HD23 ' A' ' 107' ' ' LEU . 4.0 mm-40 -119.39 153.15 35.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 1.027 HG23 ' HB2' ' A' ' 87' ' ' ALA . 66.2 t -134.71 121.83 36.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.173 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -103.34 144.43 31.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -63.78 127.82 33.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.5 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.806 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.9 tt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.807 0.337 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -114.75 155.56 26.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -143.99 140.18 16.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.618 0.723 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 118.37 5.64 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.716 2.278 . . . . 0.0 112.317 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -89.98 20.49 4.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 41.94 -160.78 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.439 ' O ' HD22 ' A' ' 107' ' ' LEU . . . 172.04 -151.04 13.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.497 HG23 ' CB ' ' A' ' 108' ' ' GLU . 6.1 m -141.1 118.84 11.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 111.161 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.9 p -112.35 139.28 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.156 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.3 154.38 38.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.5 t -61.46 119.58 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.91 -17.26 59.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.9 -175.43 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -131.75 122.15 25.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.6 tt -121.29 153.5 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 m -135.26 129.34 33.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -98.8 151.86 20.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.3 mm -115.13 135.73 54.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -158.68 113.43 2.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -113.16 169.73 8.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.62 ' O ' HG13 ' A' ' 72' ' ' VAL . 10.4 p -143.0 140.46 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -75.89 118.8 19.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -117.53 159.2 23.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -123.31 -47.75 1.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.45 159.82 17.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.6 mt -105.06 -44.64 4.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.452 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.5 mm? -50.08 -40.52 45.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.1 mmt-85 -87.95 151.53 22.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.444 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 31.4 ttmt -144.23 122.01 6.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.553 0.692 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 173.85 10.41 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.637 2.224 . . . . 0.0 112.365 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.0 m -136.69 139.73 42.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.149 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.458 HG21 ' HB3' ' A' ' 75' ' ' PHE . 14.8 tt -115.4 128.16 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.599 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 2.9 tppp? -121.32 116.54 25.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.604 ' CE3' ' SG ' ' A' ' 92' ' ' CYS . 57.5 m95 -86.11 132.2 34.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.599 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 49.4 m-85 -126.81 149.41 49.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.759 ' HB2' HD21 ' A' ' 52' ' ' LEU . 20.0 tptp -125.52 142.46 51.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.97 -130.98 39.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.504 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.445 ' HG2' ' CD1' ' A' ' 49' ' ' TRP . 12.2 ttpt -104.35 -52.78 2.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.445 ' CD1' ' HG2' ' A' ' 48' ' ' LYS . 16.7 m95 -109.47 -37.5 5.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -42.48 116.59 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.415 ' OD2' ' HB3' ' A' ' 53' ' ' ALA . 15.0 t70 -108.76 116.49 32.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.759 HD21 ' HB2' ' A' ' 46' ' ' LYS . 54.8 mt -62.05 -43.27 99.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.454 ' CB ' ' HD2' ' A' ' 43' ' ' LYS . . . -41.95 -34.69 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.0 t -85.85 -27.32 25.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 52' ' ' LEU . 35.2 mmtm -75.26 -29.76 60.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.672 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -55.54 110.43 0.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -153.74 -62.25 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.521 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm -131.05 -50.32 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -74.04 -23.88 59.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.672 HD23 ' CA ' ' A' ' 56' ' ' ALA . 3.3 tp -127.47 146.47 50.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.419 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 35.7 mm-40 -149.08 126.41 11.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.2 mt -94.54 165.46 12.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -141.06 145.98 36.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -152.01 126.93 9.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.477 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 15.3 t -141.2 163.92 31.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.558 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 28.0 t80 -127.87 143.26 51.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -122.23 92.86 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.4 ' HA ' ' CZ ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -60.0 -26.52 66.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -54.56 -36.25 64.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 t -123.23 -1.56 8.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.688 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 19.0 mtt180 62.51 35.05 14.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 31' ' ' VAL . 81.3 t -126.03 140.62 48.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 66' ' ' PHE . 58.7 m-85 -96.06 148.99 22.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.477 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 28.6 m -124.06 103.85 8.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.458 ' HB3' HG21 ' A' ' 42' ' ' ILE . 10.0 m-85 -100.08 135.53 41.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -132.22 164.48 26.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 43.1 ttp -134.97 99.1 4.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -85.13 108.33 17.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.483 HG12 HD12 ' A' ' 60' ' ' LEU . 2.4 mt -100.67 114.42 39.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.4 mp -99.47 137.62 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 47.2 mttt 55.42 49.08 17.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.36 113.38 0.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -90.01 167.77 12.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.26 -16.77 15.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -80.53 -15.09 57.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -81.08 -11.26 59.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.021 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -86.04 128.68 34.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.059 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 159.19 -139.76 6.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -111.62 129.12 56.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.594 ' CB ' ' CZ ' ' A' ' 105' ' ' PHE . 5.3 m-85 -106.57 162.67 13.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -148.15 127.96 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.604 ' SG ' ' CE3' ' A' ' 44' ' ' TRP . 10.6 m -116.11 150.01 38.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -144.25 121.32 11.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.8 t -124.09 107.97 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.819 HG23 ' HB2' ' A' ' 100' ' ' PHE . 3.7 m -100.33 109.09 21.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 11.2 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.926 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.819 ' HB2' HG23 ' A' ' 95' ' ' THR . 2.7 t80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.894 0.378 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -125.81 146.77 49.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.8 p -138.27 164.73 28.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 14.8 p -158.27 164.1 36.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 60.7 p -137.3 147.11 45.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.594 ' CZ ' ' CB ' ' A' ' 90' ' ' TYR . 41.0 p90 -134.91 -175.02 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.846 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -128.07 133.39 49.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.524 HD13 ' N ' ' A' ' 108' ' ' GLU . 3.2 tm? -121.62 132.58 54.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.524 ' N ' HD13 ' A' ' 107' ' ' LEU . 6.3 mm-40 -115.21 153.9 30.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 1.021 HG23 ' HB2' ' A' ' 87' ' ' ALA . 39.5 t -133.45 118.75 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -103.0 142.73 33.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.825 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -60.52 129.91 43.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 44.8 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.8 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.464 HG23 ' N ' ' A' ' 12' ' ' GLU . 2.2 tp . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.819 0.342 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.464 ' N ' HG23 ' A' ' 11' ' ' ILE . 7.3 tp10 -114.97 158.67 21.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -140.07 130.93 14.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 113.53 3.41 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.376 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -87.24 27.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 37.89 -157.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 171.18 -156.4 26.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.474 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.636 HG23 ' CB ' ' A' ' 108' ' ' GLU . 7.1 m -138.95 115.62 10.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 0.0 111.151 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.1 p -110.25 141.72 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HB3' ' CD ' ' A' ' 23' ' ' GLU . 0.7 OUTLIER -73.97 152.41 40.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.901 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 110' ' ' HIS . 70.2 t -60.13 119.72 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.24 -17.39 59.21 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 1.6 mp0 -77.29 179.44 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.866 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -125.34 126.87 45.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.2 tt -122.97 155.56 28.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 m -138.66 137.24 36.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -108.78 146.76 33.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.8 mm -110.31 130.99 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.144 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.84 113.0 4.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -110.73 160.73 16.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.7 t -136.88 134.64 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -76.67 114.73 15.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -122.21 144.71 48.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.441 ' O ' ' CD ' ' A' ' 71' ' ' ARG . 36.3 mt-10 -109.52 -51.12 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -83.89 161.97 20.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.8 mt -104.31 -39.97 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.9 mm? -48.78 -44.84 39.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -84.67 136.21 33.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.494 ' HG2' ' CE2' ' A' ' 73' ' ' TYR . 0.5 OUTLIER -120.29 118.56 31.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 110.893 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.517 ' HD2' ' CZ ' ' A' ' 73' ' ' TYR . 53.3 Cg_endo -69.77 105.37 1.47 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.283 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.473 ' C ' HG23 ' A' ' 94' ' ' VAL . 9.5 m -85.03 129.01 34.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.6 tt -108.22 145.95 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -138.2 116.99 12.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.446 ' HB3' HD12 ' A' ' 52' ' ' LEU . 55.1 m95 -83.82 134.93 34.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.956 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -127.5 165.64 19.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.442 ' HB2' HD21 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -149.03 153.96 38.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.03 -131.93 36.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.534 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.587 ' HB3' ' CD1' ' A' ' 49' ' ' TRP . 12.9 mmtm -104.46 -51.9 3.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.75 0.309 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.587 ' CD1' ' HB3' ' A' ' 48' ' ' LYS . 1.1 m95 -133.48 38.19 3.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.7 ttp -98.96 134.42 41.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -110.12 116.29 31.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.446 HD12 ' HB3' ' A' ' 44' ' ' TRP . 79.0 mt -73.34 -40.02 64.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -41.01 -43.1 2.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.9 t -75.06 -36.96 61.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.9 mmtt -65.39 -33.15 75.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.618 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -54.38 107.8 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -146.41 -67.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.527 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.4 mtmm -126.16 -56.08 1.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.405 ' O ' ' N ' ' A' ' 80' ' ' ILE . 94.8 m-70 -66.18 -31.6 72.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.876 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.618 HD23 ' CA ' ' A' ' 56' ' ' ALA . 3.0 tp -119.78 146.31 45.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.415 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 41.5 mm-40 -149.74 126.81 11.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.455 ' CD2' ' HG3' ' A' ' 77' ' ' MET . 23.6 mt -93.6 162.92 13.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.8 tttm -136.5 146.77 46.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -151.46 131.14 13.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.479 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 7.0 t -146.32 149.83 34.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.667 ' CE1' ' CE1' ' A' ' 73' ' ' TYR . 66.2 t80 -120.37 144.5 47.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -129.84 88.95 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -50.33 -36.39 31.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.812 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 68' ' ' ARG . 1.5 m-70 -34.73 -63.23 0.32 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.3 p -102.29 -1.51 30.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.441 ' CD ' ' O ' ' A' ' 34' ' ' GLU . 17.0 mtt85 64.15 37.43 8.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 90.0 t -120.94 131.26 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.667 ' CE1' ' CE1' ' A' ' 66' ' ' PHE . 29.1 m-85 -89.65 140.62 29.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.479 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 17.8 m -121.92 110.14 15.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.127 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 73' ' ' TYR . 25.7 m-85 -111.45 136.4 50.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.454 ' OE2' ' C ' ' A' ' 75' ' ' PHE . 1.6 mp0 -130.5 167.69 18.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.455 ' HG3' ' CD2' ' A' ' 62' ' ' LEU . 44.7 ttp -134.99 101.8 5.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -87.5 110.47 20.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.524 HG12 HD12 ' A' ' 60' ' ' LEU . 3.2 mt -102.32 114.7 42.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 59' ' ' HIS . 2.3 mp -100.34 135.59 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 53.2 mttt 57.9 48.42 13.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.05 111.96 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.067 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -87.52 160.92 18.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -55.29 -20.87 12.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -74.67 -22.4 58.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -70.9 -18.02 62.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.915 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -74.36 110.29 8.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 179.06 -159.35 24.14 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.452 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -85.87 133.15 33.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.586 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 13.0 m-85 -119.58 124.7 47.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -114.85 120.99 41.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 32.1 p -105.24 129.3 53.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -134.23 117.37 16.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.473 HG23 ' C ' ' A' ' 41' ' ' THR . 2.9 p -135.67 112.16 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.522 ' HA ' ' CB ' ' A' ' 100' ' ' PHE . 31.3 m -93.47 155.53 17.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.438 ' N ' HG22 ' A' ' 95' ' ' THR . 15.5 t80 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.522 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 11.3 p90 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.821 0.343 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -134.86 114.69 12.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.8 p -104.66 170.47 7.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 2.0 t -148.02 176.81 9.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 84.2 p -141.81 137.51 31.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.586 ' CZ ' ' HB3' ' A' ' 90' ' ' TYR . 5.0 p90 -137.8 154.13 49.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -106.24 131.65 53.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.615 HD13 ' C ' ' A' ' 107' ' ' LEU . 3.3 tm? -108.99 125.69 52.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.636 ' CB ' HG23 ' A' ' 18' ' ' THR . 37.0 mt-10 -105.02 152.7 22.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.915 HG23 ' HB2' ' A' ' 87' ' ' ALA . 36.7 t -134.56 120.55 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.142 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.435 ' O ' HG23 ' A' ' 21' ' ' VAL . 25.7 m170 -103.27 146.55 28.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.74 125.36 25.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.9 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.822 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.588 HD11 ' CD ' ' A' ' 32' ' ' LYS . 22.1 mm . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.796 0.331 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -101.88 148.1 25.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -125.38 128.41 24.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.558 0.694 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 106.93 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.348 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' GLY . 76.2 mm-40 -83.71 38.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' GLN . . . 37.08 -156.39 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.459 ' O ' HD22 ' A' ' 107' ' ' LEU . . . 173.43 -150.13 11.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.533 HG23 ' HB3' ' A' ' 108' ' ' GLU . 16.2 m -142.54 114.3 8.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.853 0.359 . . . . 0.0 111.119 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.9 p -113.52 141.88 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -73.59 153.26 40.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 110' ' ' HIS . 55.7 t -61.75 116.43 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.15 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.55 -6.62 61.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -85.53 -176.26 6.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.37 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -126.59 128.49 46.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.3 tt -127.13 157.61 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.8 m -137.94 138.79 39.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -110.55 140.19 45.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.9 mm -101.98 142.05 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -157.99 112.94 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 mtmm -112.09 153.17 27.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.791 HG21 HG21 ' A' ' 94' ' ' VAL . 60.3 t -137.73 136.93 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.588 ' CD ' HD11 ' A' ' 11' ' ' ILE . 3.3 tptm -76.35 119.82 20.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.14 145.12 44.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.45 ' O ' ' NH1' ' A' ' 71' ' ' ARG . 55.2 mt-10 -105.77 -39.46 6.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -100.27 152.35 20.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.522 HD21 ' HD3' ' A' ' 71' ' ' ARG . 1.7 mt -111.45 4.19 18.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.5 mt -89.04 -27.96 20.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.471 ' HD2' ' N ' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -103.79 178.52 4.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -148.59 121.56 4.57 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.56 0.695 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 120.53 7.3 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.379 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.8 m -79.92 138.65 37.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.433 ' O ' HG23 ' A' ' 42' ' ' ILE . 17.2 tt -128.2 124.0 61.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.488 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 1.6 tppt? -121.32 126.66 50.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -94.15 130.07 40.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.488 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 48.2 m-85 -125.5 146.4 49.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.872 ' HB2' HD21 ' A' ' 52' ' ' LEU . 25.2 tptp -122.29 148.95 44.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.85 -130.83 51.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.468 ' HD2' ' NE1' ' A' ' 49' ' ' TRP . 8.5 tmtm? -104.67 -55.8 2.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.757 0.313 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.468 ' NE1' ' HD2' ' A' ' 48' ' ' LYS . 12.7 m95 -103.1 -35.64 8.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.543 ' CE ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -41.97 127.31 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.44 ' OD2' ' CE1' ' A' ' 45' ' ' PHE . 56.9 t0 -121.66 109.79 15.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.872 HD21 ' HB2' ' A' ' 46' ' ' LYS . 14.4 mt -60.36 -35.14 74.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.467 ' CB ' ' HD2' ' A' ' 43' ' ' LYS . . . -44.69 -46.55 10.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.2 t -79.25 -32.29 43.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.4 -24.59 67.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.645 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -57.54 113.82 1.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.22 -79.16 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -117.62 -37.24 3.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 80' ' ' ILE . 76.7 m-70 -90.63 -7.36 52.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.645 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.4 tp -145.97 147.6 31.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.442 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 7.5 mm-40 -148.15 124.66 11.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.3 mt -93.0 150.89 20.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -128.92 153.27 47.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -152.77 132.89 13.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 74' ' ' THR . 7.3 t -148.52 153.29 38.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.571 ' CE1' ' CE1' ' A' ' 73' ' ' TYR . 41.5 t80 -123.77 145.93 48.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -130.15 91.73 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.48 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -61.31 -32.89 72.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -44.26 -39.73 4.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.437 ' O ' HG23 ' A' ' 72' ' ' VAL . 1.0 OUTLIER -121.72 6.44 9.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.816 -179.803 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.522 ' HD3' HD21 ' A' ' 36' ' ' LEU . 12.8 mtm180 52.95 50.88 16.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 70' ' ' SER . 78.5 t -140.17 129.99 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.571 ' CE1' ' CE1' ' A' ' 66' ' ' PHE . 48.2 m-85 -89.83 144.74 25.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.516 ' O ' HG22 ' A' ' 65' ' ' THR . 85.8 m -127.01 108.6 11.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -108.17 126.36 52.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -114.81 168.4 9.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.503 ' SD ' ' CG1' ' A' ' 79' ' ' ILE . 10.3 tmm? -141.25 105.27 4.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -86.52 138.18 31.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.603 HG12 HD12 ' A' ' 60' ' ' LEU . 2.3 mt -125.78 102.88 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.595 ' H ' HD12 ' A' ' 80' ' ' ILE . 0.9 OUTLIER -91.08 135.72 26.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 36.3 mttt 57.27 48.16 15.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.17 118.69 3.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.053 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -94.55 164.64 12.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.98 -29.85 31.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -68.23 -23.72 64.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.561 ' O ' HD12 ' A' ' 107' ' ' LEU . 2.7 m-85 -72.57 1.0 9.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.961 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -95.38 152.55 18.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.69 -133.71 6.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.445 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -116.01 130.4 56.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.886 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 6.8 m-85 -101.8 170.12 8.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -153.65 121.7 6.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 20.1 t -108.73 126.06 52.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -115.83 118.65 33.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.791 HG21 HG21 ' A' ' 31' ' ' VAL . 5.1 p -123.5 109.34 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.9 m -102.72 136.32 42.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.133 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 4.7 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.447 ' CE1' ' OG ' ' A' ' 102' ' ' SER . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -110.57 155.9 21.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.447 ' OG ' ' CE1' ' A' ' 100' ' ' PHE . 34.3 m -149.24 128.21 12.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.2 m -127.27 171.63 11.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 85.4 p -141.77 161.22 38.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 90' ' ' TYR . 2.3 p90 -146.12 -176.92 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -124.73 138.31 54.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 86' ' ' PHE . 2.9 tm? -126.0 129.27 48.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.533 ' HB3' HG23 ' A' ' 18' ' ' THR . 13.9 mt-10 -110.89 147.51 34.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.961 HG23 ' HB2' ' A' ' 87' ' ' ALA . 21.5 t -128.19 120.81 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.067 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.574 ' O ' HG23 ' A' ' 21' ' ' VAL . 25.5 m170 -103.13 153.18 20.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -73.28 125.3 27.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.9 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.769 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.55 HG23 ' N ' ' A' ' 12' ' ' GLU . 2.3 tp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.82 0.343 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.55 ' N ' HG23 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -95.96 146.03 24.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.468 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 33.7 mttt -120.5 108.28 37.79 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.711 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.405 ' HG3' ' HB2' ' A' ' 29' ' ' ALA . 53.8 Cg_endo -69.79 85.97 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.656 2.238 . . . . 0.0 112.362 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -68.5 105.77 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.47 156.42 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.468 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.497 ' O ' HD22 ' A' ' 107' ' ' LEU . . . -134.35 -141.02 4.39 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.441 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.477 HG23 ' HB3' ' A' ' 108' ' ' GLU . 9.9 m -139.65 115.53 10.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 111.117 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.6 p -116.46 142.29 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' CB ' ' OE1' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -74.38 153.68 39.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.4 t -62.38 119.87 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.48 -13.8 62.55 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.442 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.405 ' OE1' ' CB ' ' A' ' 20' ' ' LYS . 12.3 mt-10 -77.11 -177.33 4.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -129.44 117.59 20.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.3 tt -117.9 154.61 19.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.6 m -139.27 143.5 37.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -115.07 145.77 41.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.4 mm -107.26 132.17 55.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.405 ' HB2' ' HG3' ' A' ' 14' ' ' PRO . . . -152.2 113.28 4.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.07 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -113.06 154.39 26.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.803 HG21 HG21 ' A' ' 94' ' ' VAL . 94.7 t -123.99 141.46 44.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -75.89 117.65 17.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -120.25 151.99 38.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -120.36 -48.48 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.57 168.05 11.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.0 mt -111.58 -29.98 7.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.56 -37.75 76.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -91.06 152.3 20.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -142.68 115.7 6.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.539 ' HD2' ' CZ ' ' A' ' 73' ' ' TYR . 53.1 Cg_endo -69.84 166.06 28.98 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.319 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.2 m -135.95 134.99 39.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.424 ' O ' HG23 ' A' ' 42' ' ' ILE . 19.3 tt -111.12 127.3 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.461 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 7.3 tppt? -117.0 120.44 38.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.521 ' CE3' ' SD ' ' A' ' 77' ' ' MET . 29.2 m95 -90.25 129.46 36.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.461 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 48.5 m-85 -123.54 146.97 47.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.827 ' HB2' HD21 ' A' ' 52' ' ' LEU . 25.4 tptp -123.52 153.96 39.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.829 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.452 ' N ' ' HG3' ' A' ' 46' ' ' LYS . . . 62.67 -125.45 35.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -104.08 -52.87 2.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.713 0.292 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -134.33 36.89 3.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.597 ' CE ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -92.16 127.77 37.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.85 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 5.0 t0 -103.2 108.95 20.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.827 HD21 ' HB2' ' A' ' 46' ' ' LYS . 20.1 mt -72.57 -27.86 62.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -45.43 -57.92 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.49 -27.22 65.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.437 ' CE ' ' SD ' ' A' ' 50' ' ' MET . 35.9 mmtt -71.87 -29.67 64.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.576 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -59.3 109.72 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.489 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . -147.34 -73.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -117.23 -57.21 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' A' ' 80' ' ' ILE . 87.9 m-70 -65.49 -34.58 78.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.576 HD23 ' CA ' ' A' ' 56' ' ' ALA . 3.4 tp -119.17 146.22 45.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 23.6 mm-40 -148.74 125.65 11.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.1 mt -96.29 154.47 17.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.425 ' HE3' ' CD ' ' A' ' 76' ' ' GLU . 13.1 ttpp -130.23 147.88 52.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -152.5 131.19 12.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.486 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 11.4 t -147.94 166.33 28.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.14 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.406 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 68.6 t80 -136.95 145.8 44.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -127.95 101.46 6.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.468 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -63.82 -26.65 68.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -50.74 -39.24 51.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 t -119.71 -1.91 10.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.486 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 15.1 mtt85 59.67 45.42 13.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.715 HG13 ' O ' ' A' ' 31' ' ' VAL . 91.8 t -136.49 136.7 48.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.539 ' CZ ' ' HD2' ' A' ' 40' ' ' PRO . 51.0 m-85 -89.83 145.52 25.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.486 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 30.0 m -124.48 103.4 8.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -104.09 138.14 41.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.507 ' N ' ' OE1' ' A' ' 76' ' ' GLU . 15.5 mp0 -131.02 165.65 22.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.521 ' SD ' ' CE3' ' A' ' 44' ' ' TRP . 39.9 ttp -134.96 98.1 3.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -86.23 112.88 21.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.505 HG12 HD12 ' A' ' 60' ' ' LEU . 2.8 mt -105.89 111.27 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' ' 59' ' ' HIS . 1.9 mp -98.47 141.05 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.153 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.8 mttm 55.78 45.93 23.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.19 114.57 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -92.54 166.71 12.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.34 -23.67 38.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -73.84 -18.36 60.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -77.75 -15.39 59.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.011 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -82.9 138.24 33.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 152.62 -121.08 1.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -128.63 122.37 30.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 110.838 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.647 ' CB ' ' CE2' ' A' ' 105' ' ' PHE . 20.7 m-85 -97.63 168.75 10.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.1 ttt85 -149.14 157.08 43.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.41 ' O ' ' CD ' ' A' ' 93' ' ' GLU . 2.0 t -142.96 144.48 32.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 92' ' ' CYS . 17.1 mp0 -142.86 118.18 10.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.803 HG21 HG21 ' A' ' 31' ' ' VAL . 7.5 p -126.25 128.63 71.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.407 HG22 ' CD2' ' A' ' 100' ' ' PHE . 19.7 p -111.76 174.47 5.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.16 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 4.4 t80 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.905 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.407 ' CD2' HG22 ' A' ' 95' ' ' THR . 2.0 t80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.859 0.361 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -147.88 143.08 27.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.4 p -119.8 153.66 35.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 7.9 t -153.72 144.77 22.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 88.5 p -125.72 153.37 44.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.647 ' CE2' ' CB ' ' A' ' 90' ' ' TYR . 0.7 OUTLIER -139.66 -177.82 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.923 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -127.06 131.19 50.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.497 HD22 ' O ' ' A' ' 17' ' ' GLY . 2.1 tm? -117.0 130.39 56.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.477 ' HB3' HG23 ' A' ' 18' ' ' THR . 8.6 mt-10 -107.77 144.33 35.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 1.011 HG23 ' HB2' ' A' ' 87' ' ' ALA . 39.1 t -127.68 120.3 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.402 ' HB2' ' HD3' ' A' ' 20' ' ' LYS . 21.1 m170 -103.06 140.93 36.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -61.45 127.8 33.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.783 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.668 HD11 ' HD3' ' A' ' 32' ' ' LYS . 29.7 mm . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.847 0.356 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.6 147.38 33.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -126.96 133.55 25.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.554 0.692 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 111.55 2.85 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.315 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -90.57 30.31 1.17 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 42.55 -166.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.411 ' O ' HD22 ' A' ' 107' ' ' LEU . . . 178.6 -151.19 10.21 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.631 HG23 ' CB ' ' A' ' 108' ' ' GLU . 5.5 m -140.8 120.86 13.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 111.163 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.7 p -118.85 142.93 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.434 ' CB ' ' OE1' ' A' ' 23' ' ' GLU . 2.4 tppp? -74.28 154.25 39.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 110' ' ' HIS . 71.1 t -62.47 117.2 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.05 -4.98 61.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.465 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.434 ' OE1' ' CB ' ' A' ' 20' ' ' LYS . 25.9 mt-10 -86.89 175.92 7.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.866 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -120.56 124.26 44.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.7 tt -123.8 152.04 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.6 m -136.79 131.05 32.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -101.58 138.96 37.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.44 HD13 ' HG2' ' A' ' 76' ' ' GLU . 32.9 mm -97.87 146.07 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -158.07 113.38 2.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.468 ' HG3' HG23 ' A' ' 74' ' ' THR . 8.2 mtmt -112.84 154.95 25.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.611 ' O ' HG13 ' A' ' 72' ' ' VAL . 7.2 p -141.92 140.17 30.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.668 ' HD3' HD11 ' A' ' 11' ' ' ILE . 3.3 tptm -80.36 118.1 21.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -118.69 132.44 56.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -110.71 35.39 3.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -166.21 158.54 14.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.1 mt -116.78 -29.6 6.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.48 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 2.8 mp -59.46 -32.57 70.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -109.41 160.59 16.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.564 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 35.4 ttmt -140.22 126.95 12.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.579 0.704 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 128.35 15.9 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.708 2.272 . . . . 0.0 112.289 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.4 m -92.29 130.16 38.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.546 HD11 ' SG ' ' A' ' 92' ' ' CYS . 6.2 tt -105.83 150.84 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.142 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.571 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 2.6 tppp? -144.79 116.62 8.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -88.88 141.82 28.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.571 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 66.0 m-85 -135.93 176.5 8.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.498 ' HG3' ' N ' ' A' ' 47' ' ' GLY . 13.2 tttm -166.09 152.56 9.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.498 ' N ' ' HG3' ' A' ' 46' ' ' LYS . . . 68.96 -130.51 24.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.479 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.434 ' HG2' ' NE1' ' A' ' 49' ' ' TRP . 1.2 ttmp? -104.36 -55.26 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.741 0.305 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.434 ' NE1' ' HG2' ' A' ' 48' ' ' LYS . 11.2 m95 -132.87 39.13 3.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.568 ' CE ' HD23 ' A' ' 52' ' ' LEU . 6.4 ttp -100.41 124.5 46.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.855 ' OD1' ' HB3' ' A' ' 53' ' ' ALA . 7.2 t70 -103.39 101.14 11.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.568 HD23 ' CE ' ' A' ' 50' ' ' MET . 65.0 mt -59.53 -28.99 67.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.855 ' HB3' ' OD1' ' A' ' 51' ' ' ASP . . . -49.18 -57.31 6.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.81 -22.97 63.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -71.47 -32.86 68.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.677 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -54.85 117.19 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.49 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . -151.81 -73.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.452 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -120.26 -54.65 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.479 ' O ' ' N ' ' A' ' 80' ' ' ILE . 97.6 m-70 -69.98 -31.21 68.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.828 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.677 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.8 tp -117.46 144.23 45.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 44.9 mm-40 -149.01 122.51 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.632 HD23 ' HG2' ' A' ' 77' ' ' MET . 13.3 mt -91.49 163.19 14.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.14 149.95 47.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.402 ' C ' ' OE2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -148.77 132.43 16.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 74' ' ' THR . 5.7 t -148.16 158.67 44.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.45 ' HB2' ' CD2' ' A' ' 73' ' ' TYR . 31.8 t80 -129.45 152.82 48.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 71' ' ' ARG . 39.9 mt-10 -130.1 92.72 3.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.462 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -62.37 -41.22 98.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -51.64 -24.53 5.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.4 t -124.23 -5.84 7.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 67' ' ' GLU . 13.9 mtt180 55.89 50.74 13.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.611 HG13 ' O ' ' A' ' 31' ' ' VAL . 72.4 t -142.14 128.97 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.564 ' CE2' ' HG3' ' A' ' 39' ' ' LYS . 65.1 m-85 -90.24 135.56 33.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.468 HG23 ' HG3' ' A' ' 30' ' ' LYS . 28.0 m -122.68 115.59 22.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.405 ' HB2' HD13 ' A' ' 42' ' ' ILE . 29.6 m-85 -113.53 128.58 56.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.44 ' HG2' HD13 ' A' ' 28' ' ' ILE . 4.3 mt-10 -115.74 167.38 10.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.632 ' HG2' HD23 ' A' ' 62' ' ' LEU . 10.4 tmm? -138.3 105.26 5.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -88.3 138.3 31.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.567 HG12 HD12 ' A' ' 60' ' ' LEU . 2.6 mt -127.07 104.1 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.625 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.1 mp -92.28 133.81 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 43.1 mttt 62.0 47.23 5.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.17 109.87 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.068 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -87.65 169.65 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -17.85 35.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -78.04 -16.7 57.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.51 ' O ' HD12 ' A' ' 107' ' ' LEU . 3.9 m-85 -79.63 -4.73 52.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.03 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -93.62 111.09 22.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -178.92 -126.08 0.98 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.51 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -121.62 126.58 49.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.358 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.578 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 12.3 m-85 -111.11 136.47 50.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -129.1 127.48 41.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.546 ' SG ' HD11 ' A' ' 42' ' ' ILE . 8.4 t -111.95 147.5 35.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -141.42 125.57 17.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 94' ' ' VAL . 3.8 p -130.64 107.42 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.515 HG23 ' HB2' ' A' ' 100' ' ' PHE . 1.3 m -97.7 107.37 19.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 11.1 t80 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.912 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.515 ' HB2' HG23 ' A' ' 95' ' ' THR . 6.3 t80 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.831 0.348 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -123.91 153.77 40.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.6 p -138.88 158.36 44.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 28.4 p -164.02 143.44 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 t -125.08 160.36 29.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 90' ' ' TYR . 22.9 p90 -153.68 169.95 22.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.841 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -116.86 130.15 56.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.516 HD13 ' C ' ' A' ' 107' ' ' LEU . 3.4 tm? -109.54 127.26 54.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.631 ' CB ' HG23 ' A' ' 18' ' ' THR . 23.9 mt-10 -106.01 146.96 29.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 1.03 HG23 ' HB2' ' A' ' 87' ' ' ALA . 30.2 t -129.39 119.91 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.407 ' O ' HG23 ' A' ' 21' ' ' VAL . 20.8 m170 -103.11 143.75 32.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -64.5 125.57 25.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.773 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 tp . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.746 0.308 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -104.55 152.62 22.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -134.57 124.13 16.77 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.576 0.703 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 102.94 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.668 2.245 . . . . 0.0 112.327 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -82.91 108.0 15.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.77 170.21 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.467 ' O ' HD22 ' A' ' 107' ' ' LEU . . . -157.56 -154.91 7.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.735 HG23 ' CB ' ' A' ' 108' ' ' GLU . 3.8 m -136.39 117.15 14.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.823 0.344 . . . . 0.0 111.182 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 p -112.58 140.21 33.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.432 ' HB3' ' CD ' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -73.74 153.59 39.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.1 t -61.14 123.0 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.78 -17.17 59.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 2.5 mp0 -78.16 -177.08 4.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.12 140.16 51.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.4 tt -131.89 156.78 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 m -139.66 124.86 18.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -100.79 142.62 32.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.479 HD13 ' HG2' ' A' ' 76' ' ' GLU . 31.0 mm -99.55 126.99 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.13 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.93 111.11 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 ptpp? -132.18 139.92 48.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.911 HG21 HG11 ' A' ' 94' ' ' VAL . 25.5 t -109.48 148.92 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -76.1 123.57 26.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -124.7 159.82 29.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -125.4 -44.78 1.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.06 170.83 10.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.3 mt -110.14 -35.61 6.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.428 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.8 mm? -59.53 -38.19 80.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.7 mmt-85 -90.19 125.89 35.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.407 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 4.3 ttpm? -118.3 110.94 38.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.566 0.698 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 39' ' ' LYS . 53.9 Cg_endo -69.73 108.81 2.16 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.731 2.287 . . . . 0.0 112.341 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.3 m -85.2 143.7 28.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.0 tt -113.61 132.98 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.069 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.597 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 1.5 tppp? -116.62 124.82 50.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.502 ' CE3' ' SD ' ' A' ' 77' ' ' MET . 27.9 m95 -95.42 122.83 38.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.597 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 64.0 m-85 -119.44 162.53 18.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.532 ' CB ' HD21 ' A' ' 52' ' ' LEU . 16.8 tttm -149.28 152.01 35.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.475 ' N ' ' HG3' ' A' ' 46' ' ' LYS . . . 71.24 -132.41 21.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.5 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.5 tttt -104.3 -44.81 4.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.706 0.289 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -127.05 -29.28 2.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.3 ttp -42.28 132.1 3.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.934 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.595 ' OD1' ' CE1' ' A' ' 45' ' ' PHE . 29.6 t0 -117.33 105.47 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.532 HD21 ' CB ' ' A' ' 46' ' ' LYS . 33.2 mt -48.95 -42.92 39.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -42.03 -40.49 2.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.5 t -75.89 -32.76 59.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 52' ' ' LEU . 74.0 mmtt -69.45 -33.13 72.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.678 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -54.15 108.19 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -154.06 -54.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.46 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -133.04 -60.98 0.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.783 0.325 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -67.63 -29.29 68.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.678 HD23 ' CA ' ' A' ' 56' ' ' ALA . 3.8 tp -119.75 144.69 47.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.414 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 36.0 mm-40 -148.92 125.02 10.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.3 mt -91.67 165.2 13.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.17 145.79 41.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -152.44 127.67 9.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 74' ' ' THR . 11.1 t -139.85 167.16 22.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.56 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 73.9 t80 -134.23 144.14 48.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -128.68 93.0 3.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.422 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -51.0 -35.32 33.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.912 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -39.31 -59.78 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 60.6 p -102.96 -6.57 22.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 65.64 47.4 2.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.629 HG13 ' O ' ' A' ' 31' ' ' VAL . 94.9 t -134.21 132.63 55.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.56 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 26.4 m-85 -89.49 121.62 31.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.949 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.538 ' O ' HG22 ' A' ' 65' ' ' THR . 41.6 m -99.64 106.55 18.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.174 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.505 ' CZ ' ' HB3' ' A' ' 73' ' ' TYR . 6.4 m-85 -103.73 147.79 26.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.479 ' HG2' HD13 ' A' ' 28' ' ' ILE . 24.5 mt-10 -140.27 169.29 17.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.502 ' SD ' ' CE3' ' A' ' 44' ' ' TRP . 37.9 ttp -134.81 101.79 5.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -90.01 112.12 23.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.494 HG12 HD12 ' A' ' 60' ' ' LEU . 2.3 mt -104.48 115.19 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.9 mp -100.41 132.97 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.1 mttm 64.28 46.79 3.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.57 101.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.454 ' HB2' ' ND2' ' A' ' 85' ' ' ASN . 36.3 mttt -81.78 167.82 18.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.21 -23.46 47.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.454 ' ND2' ' HB2' ' A' ' 83' ' ' LYS . 0.5 OUTLIER -72.36 -21.2 61.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -73.97 -15.89 61.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.979 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -81.13 117.25 21.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 169.31 -140.54 6.18 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -101.82 143.91 31.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.586 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 24.0 m-85 -128.74 144.08 51.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -127.74 150.45 49.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 10.5 m -129.69 132.85 46.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -128.75 121.4 28.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.911 HG11 HG21 ' A' ' 31' ' ' VAL . 91.4 t -129.74 131.95 66.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -131.13 99.42 4.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 8.1 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.9 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.487 ' CD2' ' O ' ' A' ' 94' ' ' VAL . 2.8 t80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.89 144.5 51.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 68.3 p -131.95 126.78 34.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 25.1 t -133.61 134.84 43.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 78.1 p -115.45 135.9 53.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.586 ' CZ ' ' HB3' ' A' ' 90' ' ' TYR . 3.6 p90 -119.37 -174.82 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -126.6 128.53 46.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.467 HD22 ' O ' ' A' ' 17' ' ' GLY . 1.8 tm? -115.54 124.01 49.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.735 ' CB ' HG23 ' A' ' 18' ' ' THR . 20.4 mt-10 -105.17 148.82 26.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.979 HG23 ' HB2' ' A' ' 87' ' ' ALA . 39.1 t -131.18 116.9 34.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -102.86 145.1 30.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -61.99 128.37 35.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.79 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.2 mm . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.759 0.314 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.79 160.15 14.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -127.9 142.2 43.58 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.561 0.696 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 110.81 2.64 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -90.4 110.93 22.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.93 169.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.605 ' O ' HD22 ' A' ' 107' ' ' LEU . . . -158.71 -157.92 8.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.601 HG23 ' CB ' ' A' ' 108' ' ' GLU . 8.3 m -135.58 112.76 10.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 111.144 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.9 p -108.7 140.43 27.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.6 153.93 39.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.44 117.73 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.135 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.8 -14.2 63.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.524 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -76.58 -175.41 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -132.5 119.92 21.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.5 tt -117.76 154.0 19.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 m -137.66 137.36 38.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -106.95 152.08 24.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.0 mm -115.95 140.46 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -156.77 113.46 3.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -104.82 164.47 11.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.478 ' CG1' ' HB2' ' A' ' 73' ' ' TYR . 14.7 p -151.27 135.98 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.154 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -77.05 125.88 30.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -123.16 164.51 18.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.428 ' O ' ' NH1' ' A' ' 71' ' ' ARG . 47.4 mt-10 -129.56 -43.24 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -93.42 150.65 20.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.0 mt -97.77 -40.19 8.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.498 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.1 mm? -53.38 -44.26 68.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -92.0 148.61 22.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -140.17 126.01 11.72 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.618 0.723 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 130.91 20.24 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.694 2.263 . . . . 0.0 112.346 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.1 m -96.16 141.64 29.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.775 HD11 ' SG ' ' A' ' 92' ' ' CYS . 6.8 tt -111.66 134.82 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.599 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 2.4 tppp? -125.68 116.32 21.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.47 ' HB3' HD12 ' A' ' 52' ' ' LEU . 46.8 m95 -89.93 120.11 30.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.599 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 61.6 m-85 -111.31 151.53 28.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.934 ' HB2' HD21 ' A' ' 52' ' ' LEU . 22.5 tptm -129.3 157.55 41.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.409 ' N ' ' HG3' ' A' ' 46' ' ' LYS . . . 58.88 -127.26 44.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.537 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -99.07 -57.52 2.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -131.31 34.35 4.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.625 ' CE ' HD23 ' A' ' 52' ' ' LEU . 1.2 tmm? -87.86 132.39 34.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.521 ' OD1' ' HB3' ' A' ' 53' ' ' ALA . 4.7 t0 -107.07 107.06 17.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.934 HD21 ' HB2' ' A' ' 46' ' ' LYS . 28.6 mt -69.16 -27.7 65.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.521 ' HB3' ' OD1' ' A' ' 51' ' ' ASP . . . -47.67 -56.46 7.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.9 p -69.33 -24.32 63.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -74.23 -32.65 63.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.68 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -56.41 113.82 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.486 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . -153.06 -66.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.507 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -124.22 -60.28 1.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.33 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.4 ' O ' ' O ' ' A' ' 80' ' ' ILE . 96.7 m-70 -66.04 -20.47 66.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.68 HD23 ' CA ' ' A' ' 56' ' ' ALA . 3.7 tp -131.8 145.52 51.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 48.7 mm-40 -149.76 125.15 10.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.6 mt -91.37 164.49 13.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -139.5 145.88 39.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -152.37 128.39 10.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.472 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 14.0 t -138.46 167.26 22.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.613 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 43.0 t80 -135.0 147.64 49.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -128.07 97.32 4.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -22.86 66.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -53.59 -44.68 69.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.7 m -119.54 2.4 11.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.531 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 13.6 mtm180 61.72 34.18 17.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 69.5 t -119.48 132.26 69.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.613 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 67.6 m-85 -91.69 155.54 18.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.472 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 14.7 m -137.06 114.5 10.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -109.9 148.12 32.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -141.66 166.0 25.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 49.6 ttp -135.02 101.4 4.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -87.39 110.27 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.497 HG12 HD12 ' A' ' 60' ' ' LEU . 2.4 mt -103.19 112.21 35.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.492 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.9 mp -96.88 146.46 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.9 mttm 48.07 48.79 18.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.51 110.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.071 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -88.81 167.56 13.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.7 -20.21 20.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.901 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -76.02 -19.84 58.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -75.88 -14.16 60.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.979 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -82.9 114.23 21.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -179.12 -142.84 5.1 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -109.97 117.75 34.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.357 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 20.3 m-85 -98.16 156.91 16.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -142.95 121.21 12.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.775 ' SG ' HD11 ' A' ' 42' ' ' ILE . 1.9 t -101.87 133.52 46.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -134.45 118.08 16.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 99.6 t -126.57 104.21 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.947 HG23 ' HB2' ' A' ' 100' ' ' PHE . 18.1 m -99.05 121.6 41.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.169 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.6 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.884 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.947 ' HB2' HG23 ' A' ' 95' ' ' THR . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.897 0.38 . . . . 0.0 110.864 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -120.83 157.17 30.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 80.0 p -146.27 152.2 38.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 20.6 p -162.99 134.72 5.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 94.6 p -112.24 157.87 20.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 90' ' ' TYR . 10.6 p90 -143.15 -176.6 4.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -126.17 137.18 53.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.605 HD22 ' O ' ' A' ' 17' ' ' GLY . 2.6 tm? -122.25 130.25 53.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.601 ' CB ' HG23 ' A' ' 18' ' ' THR . 4.1 mp0 -110.54 149.78 29.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.979 HG23 ' HB2' ' A' ' 87' ' ' ALA . 38.9 t -131.13 117.56 37.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.101 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -102.98 143.29 32.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -62.59 129.11 39.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.819 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 12' ' ' GLU . 6.9 tt . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.807 0.336 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.425 ' N ' HG23 ' A' ' 11' ' ' ILE . 5.0 tp10 -106.63 135.58 47.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -122.4 127.27 25.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.577 0.703 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 104.27 1.29 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.704 2.269 . . . . 0.0 112.377 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -80.68 43.94 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 42.96 -166.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.91 -160.58 22.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.508 HG23 ' HB3' ' A' ' 108' ' ' GLU . 5.1 m -139.12 111.87 7.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.804 0.335 . . . . 0.0 111.126 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.8 p -114.05 140.86 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.43 ' HB3' ' CD ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -74.11 153.34 39.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.34 117.49 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.52 -3.44 63.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.43 ' CD ' ' HB3' ' A' ' 20' ' ' LYS . 52.8 mt-10 -89.1 -179.32 5.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.832 0.349 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -124.76 124.63 42.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.7 tt -123.18 151.73 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 m -139.22 130.21 26.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -98.76 154.18 18.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.485 ' CG2' ' HE2' ' A' ' 30' ' ' LYS . 41.6 mm -114.94 137.39 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.44 ' C ' ' HD3' ' A' ' 30' ' ' LYS . . . -149.0 131.93 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.722 ' HD2' HG23 ' A' ' 74' ' ' THR . 0.0 OUTLIER -116.52 160.11 21.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.551 HG21 ' HE2' ' A' ' 75' ' ' PHE . 13.8 t -143.41 126.8 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -75.78 113.97 13.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -118.77 158.73 25.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -117.96 -39.76 3.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -98.02 123.7 42.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.1 mt -62.04 -42.79 99.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.89 -55.28 36.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -63.65 133.73 54.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.432 ' NZ ' ' OE2' ' A' ' 64' ' ' GLU . 9.6 ttpp -131.58 116.34 16.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.548 0.689 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.429 ' HD3' ' CE1' ' A' ' 96' ' ' TYR . 53.7 Cg_endo -69.7 134.11 27.3 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.6 m -96.86 138.15 34.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.3 tt -112.91 133.83 57.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.067 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.59 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 2.6 tppp? -122.12 118.87 29.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.423 ' HB3' HD12 ' A' ' 52' ' ' LEU . 31.5 m95 -87.98 130.86 34.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.59 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 56.2 m-85 -126.32 164.32 21.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.662 ' HB2' HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -143.64 147.57 34.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.456 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 62.93 -130.76 42.57 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.497 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.532 ' HD3' ' CE2' ' A' ' 49' ' ' TRP . 26.2 tttt -104.33 -49.09 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.755 0.312 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.532 ' CE2' ' HD3' ' A' ' 48' ' ' LYS . 4.9 m95 -116.53 -35.28 4.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.976 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.3 ttp -42.32 120.63 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.55 ' OD2' ' HB3' ' A' ' 53' ' ' ALA . 25.1 t70 -111.35 122.0 46.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.662 HD21 ' HB2' ' A' ' 46' ' ' LYS . 22.6 mt -69.13 -39.61 78.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.55 ' HB3' ' OD2' ' A' ' 51' ' ' ASP . . . -41.65 -37.8 1.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.051 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.5 t -82.37 -27.68 31.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 52' ' ' LEU . 31.7 mmtm -69.23 -26.96 65.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.713 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -59.96 110.46 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.89 -66.29 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -125.92 -50.81 1.58 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 80' ' ' ILE . 95.1 m-70 -80.04 -14.54 58.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.713 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.3 tp -136.57 144.18 44.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.4 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 34.9 mm-40 -148.33 124.37 10.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.942 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.7 mt -89.8 165.69 14.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -140.92 150.51 43.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.432 ' OE2' ' NZ ' ' A' ' 39' ' ' LYS . 7.7 tt0 -152.42 131.64 12.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.474 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 14.5 t -141.9 161.68 37.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.708 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 53.7 t80 -123.25 146.34 47.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -130.12 94.9 3.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.474 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -62.77 -30.51 71.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.855 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -42.8 -47.28 5.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 t -119.37 2.99 11.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.498 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 13.0 mtt85 62.71 33.45 15.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 31' ' ' VAL . 53.7 t -116.59 134.02 61.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.708 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 58.2 m-85 -94.2 134.75 36.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.722 HG23 ' HD2' ' A' ' 30' ' ' LYS . 5.0 m -114.62 123.24 48.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.551 ' HE2' HG21 ' A' ' 31' ' ' VAL . 8.2 m-85 -120.82 125.08 46.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.449 ' HG2' HD13 ' A' ' 28' ' ' ILE . 5.1 mt-10 -113.12 167.42 10.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 42.1 ttp -136.2 103.11 5.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.848 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.03 127.67 34.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.512 HG12 HD12 ' A' ' 60' ' ' LEU . 2.1 mt -119.28 105.58 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.652 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.1 mp -91.05 139.7 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.5 mttp 53.44 46.44 26.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.64 117.11 2.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -90.83 161.28 15.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.66 -11.63 3.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -86.87 -17.41 33.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -74.24 -17.92 60.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.119 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -81.94 108.66 15.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -170.56 -139.64 2.8 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -104.13 114.26 28.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 110.85 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.58 ' CB ' ' CE2' ' A' ' 105' ' ' PHE . 3.0 m-85 -102.92 136.71 42.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -128.65 125.88 39.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.446 ' C ' ' OE1' ' A' ' 93' ' ' GLU . 27.7 p -106.63 149.75 26.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.446 ' OE1' ' C ' ' A' ' 92' ' ' CYS . 33.7 mp0 -144.73 123.62 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.3 t -123.16 104.03 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.42 127.15 38.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.429 ' CE1' ' HD3' ' A' ' 40' ' ' PRO . 3.7 t80 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.443 ' CZ ' ' HB3' ' A' ' 102' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.815 0.341 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -142.5 151.15 41.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 84.1 p -147.46 171.65 15.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 2.4 t -154.96 171.13 20.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 94.8 p -138.91 147.67 42.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.58 ' CE2' ' CB ' ' A' ' 90' ' ' TYR . 1.3 p90 -153.85 -176.97 6.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -135.41 140.4 44.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.715 HD23 ' H ' ' A' ' 108' ' ' GLU . 1.2 tt -112.36 142.12 45.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.715 ' H ' HD23 ' A' ' 107' ' ' LEU . 26.1 mt-10 -119.77 145.87 46.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 1.119 HG23 ' HB2' ' A' ' 87' ' ' ALA . 60.3 t -131.96 121.65 47.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -103.09 144.66 31.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -65.05 129.22 38.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 38.1 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.778 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.451 HD13 ' HB2' ' A' ' 32' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.818 0.342 . . . . 0.0 111.152 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.443 ' N ' HG22 ' A' ' 11' ' ' ILE . 9.0 tm-20 -93.91 147.28 23.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -133.73 120.76 15.67 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.628 0.727 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 112.4 3.08 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.686 2.257 . . . . 0.0 112.316 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 16' ' ' GLY . 50.2 mm-40 -86.25 35.02 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 15' ' ' GLN . . . 34.93 -153.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.459 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.523 ' O ' HD22 ' A' ' 107' ' ' LEU . . . 171.27 -155.44 24.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.691 HG23 ' CB ' ' A' ' 108' ' ' GLU . 6.5 m -137.96 114.49 10.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.82 0.343 . . . . 0.0 111.149 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.5 p -111.41 142.37 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.51 154.49 38.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 110' ' ' HIS . 52.7 t -61.74 117.22 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.58 -11.03 63.03 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.49 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -79.2 -176.49 5.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -131.44 122.1 25.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.5 tt -124.88 152.62 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.2 m -135.6 132.79 37.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.522 ' CE1' ' HE3' ' A' ' 77' ' ' MET . 25.8 m-85 -99.91 152.47 20.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.5 mm -110.01 135.57 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -154.45 112.66 3.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -113.1 159.99 18.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.411 HG11 ' CG ' ' A' ' 40' ' ' PRO . 4.9 p -139.75 144.83 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HB2' HD13 ' A' ' 11' ' ' ILE . 2.5 tptt -75.83 124.77 27.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -129.44 136.92 50.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.09 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -105.1 -42.56 5.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.22 160.99 14.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.507 HD22 ' CZ ' ' A' ' 66' ' ' PHE . 23.7 mt -101.37 -40.07 7.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.481 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.3 mm? -54.09 -40.77 67.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -86.75 144.73 26.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.506 ' HG2' ' CE2' ' A' ' 73' ' ' TYR . 14.9 mtmm -137.06 120.56 11.9 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.584 0.707 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.411 ' CG ' HG11 ' A' ' 31' ' ' VAL . 54.0 Cg_endo -69.75 120.83 7.55 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.673 2.248 . . . . 0.0 112.382 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.6 m -82.67 139.1 33.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.617 HD11 ' SG ' ' A' ' 92' ' ' CYS . 10.4 tt -121.97 123.09 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.469 ' HG2' ' CE1' ' A' ' 45' ' ' PHE . 4.3 tppt? -119.4 116.71 26.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.421 ' HB3' HD12 ' A' ' 52' ' ' LEU . 30.7 m95 -85.54 136.61 33.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.485 ' CE2' ' OD1' ' A' ' 51' ' ' ASP . 57.1 m-85 -130.86 162.66 29.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.647 ' HB2' HD21 ' A' ' 52' ' ' LEU . 9.6 tmtt? -144.87 147.91 33.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.452 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 65.19 -136.71 37.5 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.523 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.462 ' HD2' ' NE1' ' A' ' 49' ' ' TRP . 8.1 tmtm? -100.97 -52.94 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.462 ' NE1' ' HD2' ' A' ' 48' ' ' LYS . 14.9 m95 -110.84 -35.13 6.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.953 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.9 ttp -43.08 118.92 1.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.485 ' OD1' ' CE2' ' A' ' 45' ' ' PHE . 21.1 t0 -110.28 111.62 23.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.647 HD21 ' HB2' ' A' ' 46' ' ' LYS . 40.3 mt -57.19 -43.7 82.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.457 ' CB ' ' HD2' ' A' ' 43' ' ' LYS . . . -41.88 -38.29 1.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.6 t -81.15 -32.35 33.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' LEU . 35.1 mmtt -65.61 -30.55 71.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.748 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -55.82 113.68 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.088 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.51 -60.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -128.99 -56.63 1.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.835 0.35 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 80' ' ' ILE . 97.8 m-70 -74.25 -20.56 60.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.748 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.4 tp -129.01 145.2 51.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.409 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 12.8 mm-40 -148.2 124.21 10.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.9 mt -91.46 153.73 19.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -127.6 148.67 50.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -152.04 133.85 14.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.472 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 11.7 t -147.31 165.97 28.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.172 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.6 ' CD1' ' CE1' ' A' ' 73' ' ' TYR . 41.1 t80 -128.72 147.06 50.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -129.91 90.95 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -23.72 52.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -46.03 -45.27 15.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 82.7 p -126.57 4.86 6.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 32.3 mtt-85 63.51 38.98 9.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 63.7 t -123.78 130.82 73.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.6 ' CE1' ' CD1' ' A' ' 66' ' ' PHE . 6.3 m-85 -89.59 152.1 21.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.472 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 50.1 m -127.98 105.81 8.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -104.08 129.67 51.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -123.51 167.28 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.522 ' HE3' ' CE1' ' A' ' 27' ' ' PHE . 50.9 ttp -135.03 97.88 3.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -84.32 113.04 20.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.502 HG12 HD12 ' A' ' 60' ' ' LEU . 2.4 mt -103.75 114.56 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.405 ' O ' ' O ' ' A' ' 59' ' ' HIS . 2.2 mp -99.53 140.29 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.6 mttt 54.43 47.73 22.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.3 108.98 0.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -89.27 169.01 11.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.85 -19.73 19.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -75.27 -17.86 60.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -80.79 -10.02 59.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.966 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -86.19 121.59 28.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 166.1 -140.44 6.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -105.76 133.47 50.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.857 0.36 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.583 ' CB ' ' CE2' ' A' ' 105' ' ' PHE . 8.9 m-85 -112.77 147.28 37.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 47.4 ttm-85 -139.86 123.88 17.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.617 ' SG ' HD11 ' A' ' 42' ' ' ILE . 1.8 t -104.01 146.48 28.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -131.89 122.17 25.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.457 ' O ' ' CD2' ' A' ' 100' ' ' PHE . 58.5 t -130.49 122.4 52.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 m -114.54 143.78 44.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 7.8 t80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.954 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.457 ' CD2' ' O ' ' A' ' 94' ' ' VAL . 7.3 t80 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.849 0.357 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -156.21 143.57 19.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 91.3 p -136.44 124.62 23.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.834 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 46.1 t -107.93 136.54 47.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 62.2 p -111.12 129.24 55.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.583 ' CE2' ' CB ' ' A' ' 90' ' ' TYR . 1.5 p90 -131.41 167.29 19.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -119.2 122.94 43.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.523 HD22 ' O ' ' A' ' 17' ' ' GLY . 3.0 tm? -103.83 129.91 51.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.691 ' CB ' HG23 ' A' ' 18' ' ' THR . 28.5 mt-10 -107.92 147.22 31.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.966 HG23 ' HB2' ' A' ' 87' ' ' ALA . 38.7 t -128.44 117.4 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.404 ' O ' HG23 ' A' ' 21' ' ' VAL . 22.4 m170 -102.96 144.29 31.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -66.61 125.08 24.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.829 -179.752 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 p -96.14 52.23 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.883 0.373 . . . . 0.0 110.867 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -119.51 111.99 18.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.03 125.84 6.71 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.527 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.7 m -144.88 148.5 34.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.89 0.376 . . . . 0.0 110.849 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 7' ' ' GLY . 2.9 t -152.16 109.53 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 36.2 61.41 0.81 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.1 pt -68.32 156.69 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 11' ' ' ILE . 4.9 tp -86.43 -49.88 7.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.493 ' CE2' ' SG ' ' A' ' 103' ' ' CYS . 0.7 OUTLIER -59.76 83.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.916 HD11 ' HD2' ' A' ' 32' ' ' LYS . 74.4 mt -33.28 -75.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.38 159.19 15.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -131.31 145.09 56.15 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.536 0.684 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 94.72 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.388 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -70.77 104.71 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.7 164.26 0.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.438 ' O ' HD22 ' A' ' 107' ' ' LEU . . . -155.78 -152.68 6.29 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.477 HG23 ' CB ' ' A' ' 108' ' ' GLU . 19.3 m -138.59 114.97 10.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.362 . . . . 0.0 111.177 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.5 p -111.69 142.14 25.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -74.23 156.58 37.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 110' ' ' HIS . 54.1 t -63.69 117.28 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.56 -10.18 62.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.527 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -80.75 -179.09 7.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -129.13 120.51 25.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.3 tt -121.36 151.69 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.4 m -132.8 144.34 50.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -112.49 157.49 21.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.5 mm -117.45 138.69 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.486 ' HB1' ' CZ ' ' A' ' 10' ' ' PHE . . . -156.13 113.82 3.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -113.64 158.04 21.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.6 ' O ' HG13 ' A' ' 72' ' ' VAL . 12.8 p -138.63 141.54 36.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.916 ' HD2' HD11 ' A' ' 11' ' ' ILE . 3.4 tptm -76.02 117.24 17.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -115.65 150.12 37.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -118.53 -41.93 2.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -92.77 160.78 14.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.458 HD22 ' HZ ' ' A' ' 66' ' ' PHE . 24.2 mt -109.82 -38.56 5.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.432 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.8 mm? -55.83 -36.15 67.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? -98.36 150.57 21.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -138.65 126.27 13.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.552 0.691 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 147.68 63.28 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.652 2.235 . . . . 0.0 112.36 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.3 m -112.24 137.36 50.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.3 tt -113.01 138.04 43.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -127.68 117.62 22.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.429 ' CE3' ' SD ' ' A' ' 77' ' ' MET . 54.8 m95 -89.6 136.56 32.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.489 ' CE1' ' CG ' ' A' ' 51' ' ' ASP . 65.8 m-85 -129.78 172.04 12.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.56 ' HD3' ' CE1' ' A' ' 90' ' ' TYR . 26.1 tptp -156.82 146.41 20.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.26 -132.93 30.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.576 ' HB3' ' CD1' ' A' ' 49' ' ' TRP . 1.1 tmtp? -104.3 -50.09 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.75 0.309 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.576 ' CD1' ' HB3' ' A' ' 48' ' ' LYS . 4.2 m95 -114.26 -35.65 4.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.561 ' CE ' HD23 ' A' ' 52' ' ' LEU . 3.3 ttp -42.49 116.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.507 ' OD2' ' HB3' ' A' ' 53' ' ' ALA . 26.3 t0 -109.48 101.73 10.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.561 HD23 ' CE ' ' A' ' 50' ' ' MET . 64.0 mt -47.89 -34.42 8.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.507 ' HB3' ' OD2' ' A' ' 51' ' ' ASP . . . -44.47 -52.55 7.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.061 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.64 -19.68 55.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -76.79 -23.43 52.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.603 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -63.29 111.44 2.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.71 -52.23 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -129.33 -75.53 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -61.42 -17.04 52.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.603 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.6 tp -134.17 144.94 48.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -149.69 123.6 9.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.1 mt -91.03 163.76 14.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -140.32 151.18 44.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -151.76 134.39 15.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.7 t -145.71 146.68 31.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.537 ' CD1' ' CE2' ' A' ' 73' ' ' TYR . 32.3 t80 -114.2 146.82 39.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -129.32 90.86 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -22.58 62.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -53.92 -39.58 65.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 72' ' ' VAL . 5.5 t -124.42 4.35 8.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.658 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 20.5 mtt180 57.97 39.92 26.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.844 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 31' ' ' VAL . 91.4 t -128.98 133.18 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.537 ' CE2' ' CD1' ' A' ' 66' ' ' PHE . 90.6 m-85 -92.84 153.91 18.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 85.9 m -135.66 106.3 6.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -102.12 134.52 45.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -121.73 165.53 15.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.429 ' SD ' ' CE3' ' A' ' 44' ' ' TRP . 46.3 ttp -135.01 100.32 4.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -87.51 112.73 22.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.542 HG12 HD12 ' A' ' 60' ' ' LEU . 2.8 mt -103.93 110.13 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.593 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.4 mp -95.27 146.66 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.0 mttm 47.27 51.28 13.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.23 110.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -88.48 165.4 14.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.38 -12.65 2.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -83.48 -20.74 33.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.408 ' CE2' HG23 ' A' ' 79' ' ' ILE . 6.5 m-85 -72.84 -14.63 61.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.977 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -76.31 147.0 38.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 143.15 -139.39 8.9 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -114.81 126.31 54.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.56 ' CE1' ' HD3' ' A' ' 46' ' ' LYS . 8.7 m-85 -98.93 169.99 9.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -152.11 152.87 32.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 56.5 m -136.04 132.63 36.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -128.79 118.12 22.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.2 t -126.67 107.28 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -100.71 101.88 12.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -100.9 155.02 18.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -50.31 -53.22 30.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.53 -74.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -138.08 168.52 19.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -115.25 144.69 43.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -140.83 147.67 39.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 60.7 p -139.86 142.45 36.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.493 ' SG ' ' CE2' ' A' ' 10' ' ' PHE . 1.5 p -144.15 147.43 33.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 46.5 p -129.77 146.52 51.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.519 ' CZ ' ' CB ' ' A' ' 90' ' ' TYR . 47.2 p90 -132.86 -175.22 3.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -124.25 138.38 54.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.636 HD13 ' N ' ' A' ' 108' ' ' GLU . 3.4 tm? -125.03 136.02 53.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.636 ' N ' HD13 ' A' ' 107' ' ' LEU . 18.5 mt-10 -118.86 145.96 45.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.977 HG23 ' HB2' ' A' ' 87' ' ' ALA . 19.1 t -123.28 120.61 60.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.423 ' O ' HG23 ' A' ' 21' ' ' VAL . 18.0 m170 -103.93 144.4 31.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -68.71 121.0 15.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.2 t -67.21 136.54 55.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 64.8 p -57.57 139.16 54.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.176 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -130.95 -63.53 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.523 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 116' ' ' THR . 14.8 t -98.36 154.07 18.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 111.155 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 115' ' ' THR . 22.4 p -35.57 146.15 0.19 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.56 0.695 . . . . 0.0 111.144 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 147.2 62.42 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -98.17 172.55 7.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 53.0 mt -41.67 123.12 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -110.2 176.18 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 77.6 p -147.54 113.66 5.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 150.12 164.08 11.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.462 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.21 35.4 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.5 t -138.35 170.6 15.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 39.9 m -150.49 146.38 26.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.454 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -91.94 159.22 15.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.893 0.377 . . . . 0.0 110.861 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -112.42 113.16 25.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.74 50.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.2 m -118.9 122.66 42.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 0.0 110.848 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -119.48 157.07 29.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.2 61.38 7.2 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.44 HD11 ' OD2' ' A' ' 101' ' ' ASP . 19.5 tt -88.35 148.3 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 111.133 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 10' ' ' PHE . 82.2 mt -107.49 -58.31 1.97 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 9' ' ' LEU . 2.2 t80 -37.04 101.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.434 HD13 ' HA ' ' A' ' 11' ' ' ILE . 20.7 mm -71.84 -75.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.408 ' CB ' ' HE3' ' A' ' 30' ' ' LYS . 1.3 tp10 -94.63 160.04 14.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -128.11 149.64 71.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.523 0.678 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 85.06 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -56.33 107.44 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.31 161.68 5.35 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.486 ' O ' HD22 ' A' ' 107' ' ' LEU . . . -157.99 -159.31 9.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.466 HG21 ' NE2' ' A' ' 110' ' ' HIS . 52.4 m -134.37 115.92 14.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 0.0 111.121 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.4 p -111.02 143.2 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.83 155.82 38.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.1 t -63.64 122.39 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.67 -15.66 62.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.501 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -76.09 -175.48 3.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.892 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -131.86 121.3 23.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.5 tt -120.62 154.82 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.139 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.1 m -138.7 140.79 38.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -111.43 152.91 26.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.43 HD13 ' HG2' ' A' ' 76' ' ' GLU . 42.2 mm -114.5 134.2 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -145.05 114.24 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.408 ' HE3' ' CB ' ' A' ' 12' ' ' GLU . 13.3 mtmt -107.5 152.29 24.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.483 ' O ' HG13 ' A' ' 72' ' ' VAL . 7.1 p -139.88 132.88 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -76.14 119.37 19.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -118.69 147.59 43.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -127.15 43.51 3.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.547 ' C ' HD23 ' A' ' 36' ' ' LEU . 21.5 t0 -169.86 160.35 8.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.547 HD23 ' C ' ' A' ' 35' ' ' ASP . 7.0 mt -116.27 -28.94 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.502 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 2.1 mp -70.73 -27.63 64.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -110.83 138.04 47.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.832 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 32.3 ttmt -126.36 127.24 24.64 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.546 0.689 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 163.6 37.67 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.653 2.236 . . . . 0.0 112.351 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.3 m -132.38 138.53 47.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.6 tt -116.52 130.67 70.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.588 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 3.0 tppp? -116.53 119.26 35.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.451 ' CE3' ' CE ' ' A' ' 77' ' ' MET . 27.4 m95 -89.59 128.81 36.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.588 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 56.0 m-85 -123.43 156.52 35.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.695 ' HB2' HD21 ' A' ' 52' ' ' LEU . 22.9 tptp -134.37 143.93 47.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.02 -129.64 35.26 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.524 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.448 ' HG2' ' CE2' ' A' ' 49' ' ' TRP . 6.0 ttmt -103.78 -54.33 2.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.448 ' CE2' ' HG2' ' A' ' 48' ' ' LYS . 4.8 m95 -113.08 -33.1 6.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.4 ttp -43.03 119.8 1.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.616 ' OD2' ' HB3' ' A' ' 53' ' ' ALA . 17.3 t70 -110.32 129.44 55.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.695 HD21 ' HB2' ' A' ' 46' ' ' LYS . 18.7 mt -77.95 -32.76 51.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.616 ' HB3' ' OD2' ' A' ' 51' ' ' ASP . . . -44.41 -33.54 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.3 t -91.78 -20.72 21.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' LEU . 72.3 mmtt -77.71 -26.13 49.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.586 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -55.79 109.57 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.97 -71.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -121.16 -52.55 2.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.465 ' CE1' ' HE2' ' A' ' 83' ' ' LYS . 5.9 m-70 -77.66 -13.04 60.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.586 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.1 tp -141.63 143.92 33.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.932 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.418 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 11.2 mm-40 -148.9 123.62 9.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.8 mt -89.98 162.73 15.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -143.44 146.87 33.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -151.23 136.81 17.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.2 t -146.12 155.66 42.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.53 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 35.4 t80 -121.99 143.4 49.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -124.76 94.05 4.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.458 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -62.17 -27.32 68.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -49.9 -40.95 44.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.8 m -123.38 2.64 9.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 59.32 53.13 5.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 31' ' ' VAL . 89.4 t -141.05 140.02 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.53 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 18.1 m-85 -100.96 145.6 28.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 94.3 m -125.42 108.43 11.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -102.76 141.2 35.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.43 ' HG2' HD13 ' A' ' 28' ' ' ILE . 6.7 mt-10 -131.66 163.91 27.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.451 ' CE ' ' CE3' ' A' ' 44' ' ' TRP . 44.0 ttp -134.71 98.32 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -85.38 110.97 19.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.573 HG12 HD12 ' A' ' 60' ' ' LEU . 2.6 mt -103.11 103.5 15.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.694 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.1 mp -88.6 142.89 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.2 mttt 49.39 47.55 22.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.9 115.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.474 ' HG3' ' CE1' ' A' ' 86' ' ' PHE . 44.6 mttt -87.65 162.82 16.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.07 -15.51 9.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -83.1 -18.63 38.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.474 ' CE1' ' HG3' ' A' ' 83' ' ' LYS . 5.2 m-85 -71.29 -14.06 62.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.971 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -78.14 152.72 32.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 138.71 -137.71 8.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -114.82 130.97 56.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.567 ' CE1' ' HD3' ' A' ' 46' ' ' LYS . 8.6 m-85 -104.96 156.87 17.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.9 ttp85 -148.16 123.65 10.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 14.7 p -116.48 139.72 50.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.525 ' OE1' ' CE2' ' A' ' 45' ' ' PHE . 12.4 mt-10 -125.54 118.36 25.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 90.2 t -120.9 108.08 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.761 HG23 ' HB2' ' A' ' 100' ' ' PHE . 3.5 m -107.08 118.97 38.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -113.75 155.1 26.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -49.56 -45.22 47.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.16 -70.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -138.05 167.76 21.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.761 ' HB2' HG23 ' A' ' 95' ' ' THR . 2.8 t80 -120.7 126.16 49.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.44 ' OD2' HD11 ' A' ' 8' ' ' ILE . 11.3 t0 -128.72 146.5 50.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.5 m -142.75 163.84 31.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 31.6 p -163.48 157.94 20.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 59.6 p -123.34 146.21 48.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.619 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 0.1 OUTLIER -130.2 -176.01 3.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -131.68 130.99 42.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.486 HD22 ' O ' ' A' ' 17' ' ' GLY . 2.7 tm? -125.82 121.91 34.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -105.36 159.2 16.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.971 HG23 ' HB2' ' A' ' 87' ' ' ALA . 23.5 t -133.36 124.83 49.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.466 ' NE2' HG21 ' A' ' 18' ' ' THR . 18.6 m170 -103.99 143.08 33.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.807 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -66.12 122.6 17.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.0 t -70.32 82.42 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 54.5 m -65.63 -52.31 52.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 117.2 -90.73 0.52 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 58.6 m -130.16 140.23 50.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.372 . . . . 0.0 111.135 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.9 p -118.02 150.15 46.82 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.595 0.712 . . . . 0.0 111.135 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 118.99 6.01 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 0.0 112.393 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -49.16 161.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 4.6 mp -84.78 113.86 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.188 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -41.14 137.01 1.42 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.5 m -143.43 152.79 41.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -154.51 119.94 0.98 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.453 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 129.49 17.66 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.666 2.244 . . . . 0.0 112.303 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 92.1 p -76.56 133.74 39.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 62.8 m -57.16 147.84 23.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -71.49 166.27 22.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.824 0.345 . . . . 0.0 110.85 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.3 m -67.7 168.78 10.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.829 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.13 -143.07 4.44 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -128.85 94.0 3.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 110.849 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -85.15 104.42 15.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.25 106.51 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.441 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.8 tt -125.5 161.07 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 111.097 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.402 HD22 ' O ' ' A' ' 99' ' ' LYS . 8.9 tp -52.94 -64.34 0.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -70.66 90.41 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.6 HG23 ' N ' ' A' ' 12' ' ' GLU . 3.2 tp -63.46 -49.74 81.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.141 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.6 ' N ' HG23 ' A' ' 11' ' ' ILE . 8.7 tp10 -114.73 154.34 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt -122.22 142.15 36.15 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.583 0.706 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.408 ' HG2' ' CD1' ' A' ' 105' ' ' PHE . 54.0 Cg_endo -69.74 101.34 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.248 . . . . 0.0 112.368 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -71.45 116.42 11.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.81 162.7 8.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.7 -150.83 5.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.525 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.503 HG23 ' HB3' ' A' ' 108' ' ' GLU . 3.8 m -142.54 115.1 8.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 111.149 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.9 p -114.78 141.54 30.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' CB ' ' OE1' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -74.31 155.1 38.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 110' ' ' HIS . 53.6 t -64.2 121.36 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.087 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.62 -4.44 69.22 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.405 ' OE1' ' CB ' ' A' ' 20' ' ' LYS . 30.1 mt-10 -88.37 -176.61 5.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -126.17 128.64 47.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.8 tt -131.08 153.21 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.5 m -138.64 139.58 38.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.558 ' HZ ' HD13 ' A' ' 107' ' ' LEU . 78.8 m-85 -108.51 155.48 20.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.529 HD13 ' HG2' ' A' ' 76' ' ' GLU . 35.3 mm -111.15 141.02 27.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.45 116.79 5.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -108.7 148.48 30.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.8 t -138.09 130.37 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -75.92 128.96 36.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.73 164.36 26.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.063 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -123.62 -42.81 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.35 135.91 33.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.87 -42.79 23.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.9 mt -56.62 -59.46 4.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -63.69 132.6 51.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.408 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 25.5 ttpt -129.89 119.61 19.06 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.522 0.677 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 163.49 38.08 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.383 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.2 m -125.39 133.53 52.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 12.4 tt -107.83 128.92 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.144 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.463 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 3.2 tppt? -118.21 121.16 39.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.426 ' CE2' ' HB2' ' A' ' 77' ' ' MET . 17.6 m95 -93.34 129.1 39.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.463 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 51.3 m-85 -121.71 154.35 36.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.764 ' HB2' HD21 ' A' ' 52' ' ' LEU . 25.4 tptp -125.8 147.39 49.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.22 -131.93 50.16 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -104.34 -48.02 3.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 5.3 m95 -116.03 -31.38 5.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.7 ttp -42.86 124.32 3.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -106.32 136.57 45.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.764 HD21 ' HB2' ' A' ' 46' ' ' LYS . 80.1 mt -89.84 -40.45 12.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -42.9 -32.42 0.63 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.7 t -83.41 -31.77 26.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' LEU . 38.3 mmtt -71.22 -28.76 64.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.526 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -54.42 110.45 0.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.435 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . -171.8 -73.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.45 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -117.39 -38.75 3.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.826 0.346 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.508 ' CE1' ' NZ ' ' A' ' 83' ' ' LYS . 11.4 m-70 -92.09 -15.8 27.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.587 HD12 HG12 ' A' ' 79' ' ' ILE . 5.0 tp -139.85 145.22 37.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 56.7 mm-40 -148.77 122.87 9.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.1 mt -95.19 153.51 17.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -130.92 150.18 52.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -150.12 134.11 16.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 74' ' ' THR . 12.1 t -143.15 154.12 43.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.681 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 57.6 t80 -119.67 147.6 44.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -129.62 96.5 4.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -22.3 66.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -43.64 -64.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t -111.74 6.46 19.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.4 mtt85 66.31 45.71 2.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.2 t -125.74 139.82 50.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.681 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 64.2 m-85 -99.85 150.55 22.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.567 ' O ' HG22 ' A' ' 65' ' ' THR . 87.6 m -132.72 101.69 5.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.138 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -102.58 139.63 37.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.529 ' HG2' HD13 ' A' ' 28' ' ' ILE . 42.6 mt-10 -125.38 166.61 16.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.512 ' SD ' ' CG1' ' A' ' 79' ' ' ILE . 12.0 tmm? -135.04 99.77 4.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -83.79 138.18 33.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.587 HG12 HD12 ' A' ' 60' ' ' LEU . 2.3 mt -126.78 101.32 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.663 ' H ' HD12 ' A' ' 80' ' ' ILE . 0.9 OUTLIER -88.56 141.41 14.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 179.842 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.427 ' HB2' ' ND1' ' A' ' 59' ' ' HIS . 14.9 mttp 50.7 45.77 26.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.55 126.77 10.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.076 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.508 ' NZ ' ' CE1' ' A' ' 59' ' ' HIS . 23.0 mttm -99.68 162.29 13.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.92 -16.55 12.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -82.8 -18.99 38.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -72.61 -16.01 61.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.111 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -75.45 142.69 42.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 143.27 -141.77 10.77 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -107.48 134.67 50.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.582 ' CE2' HD11 ' A' ' 52' ' ' LEU . 26.4 m-85 -110.96 170.2 8.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -151.06 148.45 28.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.3 p -139.31 117.79 12.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.414 ' HG2' ' CB ' ' A' ' 102' ' ' SER . 36.2 mt-10 -113.07 120.21 40.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.4 t -120.29 106.21 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.163 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.6 p -95.76 131.7 41.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.403 ' CE1' ' HG2' ' A' ' 97' ' ' LYS . 9.4 t80 -132.99 172.7 12.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 97' ' ' LYS . 3.9 mmmt -66.85 -45.77 77.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.48 -74.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.402 ' O ' HD22 ' A' ' 9' ' ' LEU . 2.0 mmmp? -138.01 167.54 21.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -127.01 126.83 43.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -139.16 156.79 46.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.414 ' CB ' ' HG2' ' A' ' 93' ' ' GLU . 70.7 p -146.28 148.03 32.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 7.5 t -129.02 168.68 15.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 94.0 p -140.84 139.58 34.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.479 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 1.2 p90 -130.52 -177.27 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.4 128.45 41.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.558 HD13 ' HZ ' ' A' ' 27' ' ' PHE . 29.9 tp -110.97 159.13 18.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.503 ' HB3' HG23 ' A' ' 18' ' ' THR . 21.5 mt-10 -134.49 148.09 50.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 1.111 HG23 ' HB2' ' A' ' 87' ' ' ALA . 16.6 t -127.43 122.86 60.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.163 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.439 ' NE2' HG21 ' A' ' 18' ' ' THR . 16.1 m170 -103.35 141.62 35.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -67.56 120.73 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.8 t -62.29 137.51 58.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.8 m 55.41 44.96 26.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.167 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -134.74 -75.08 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.1 t -121.86 132.46 54.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.899 0.381 . . . . 0.0 111.1 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 25.2 p -86.99 144.44 36.54 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.616 0.722 . . . . 0.0 111.082 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 177.64 5.37 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.352 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -116.21 154.84 29.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 19.2 mt -137.96 145.94 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -150.21 112.67 4.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 65.6 m -100.88 152.47 20.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -123.7 165.44 16.5 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 117.45 5.09 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.654 2.236 . . . . 0.0 112.307 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.2 m -117.21 161.4 19.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.2 t -108.61 175.74 5.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.425 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t -97.49 150.16 21.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.869 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.9 t -74.09 161.99 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.48 -135.38 1.96 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.469 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 t -165.07 156.96 15.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.361 . . . . 0.0 110.862 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -142.47 156.16 45.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.61 65.16 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.506 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.525 ' H ' HD12 ' A' ' 8' ' ' ILE . 5.4 mp -74.42 138.26 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 111.148 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.6 tp -117.34 -44.05 2.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.54 76.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.536 HG22 ' N ' ' A' ' 12' ' ' GLU . 15.1 mm -45.45 -76.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.536 ' N ' HG22 ' A' ' 11' ' ' ILE . 8.4 tp10 -86.91 136.32 32.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -118.43 142.52 31.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.578 0.704 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 82.71 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.392 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -58.84 112.07 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.58 156.93 34.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.452 ' O ' HD22 ' A' ' 107' ' ' LEU . . . -149.16 -147.22 4.48 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.522 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.691 HG23 ' CB ' ' A' ' 108' ' ' GLU . 5.7 m -139.94 116.11 10.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 111.134 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.1 p -111.1 139.59 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.439 ' HB3' ' CD ' ' A' ' 23' ' ' GLU . 1.6 tppp? -73.5 152.82 40.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.3 t -60.43 119.19 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.74 -17.73 57.9 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.507 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 1.6 mp0 -75.9 -178.44 4.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.892 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 2.3 p-10 -128.57 132.1 48.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.829 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.2 tt -129.66 154.05 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.3 m -134.96 129.27 33.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -102.0 136.79 41.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.548 HD13 ' HG2' ' A' ' 76' ' ' GLU . 32.1 mm -99.02 125.83 52.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.5 111.61 4.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.076 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.459 ' HE3' ' CB ' ' A' ' 12' ' ' GLU . 2.0 ptpt -128.22 142.43 51.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.69 ' O ' HG13 ' A' ' 72' ' ' VAL . 4.2 p -111.76 149.8 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -75.63 133.61 40.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.57 163.75 27.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -132.23 -48.43 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -89.34 161.42 16.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.2 mt -104.44 -39.6 6.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.9 mm? -51.46 -44.65 62.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -85.67 155.95 20.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.41 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 27.3 ttmt -144.37 119.89 6.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.701 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.446 ' HD2' ' CE1' ' A' ' 73' ' ' TYR . 54.2 Cg_endo -69.7 127.7 15.01 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.679 2.252 . . . . 0.0 112.364 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 56.5 m -88.37 142.41 27.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.9 tt -126.34 149.0 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.102 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.604 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 2.4 tppp? -144.18 137.52 27.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -105.35 133.1 50.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.604 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 64.7 m-85 -130.11 162.39 28.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' A' ' 47' ' ' GLY . 14.2 tmtt? -151.22 144.68 24.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.425 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 70.19 -132.48 23.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HG2' ' CD1' ' A' ' 49' ' ' TRP . 24.2 ttpt -104.54 -52.64 2.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.779 0.323 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.562 ' CD1' ' HG2' ' A' ' 48' ' ' LYS . 65.0 m95 -114.23 -34.56 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.615 ' HE2' HD23 ' A' ' 52' ' ' LEU . 2.2 ttp -41.87 113.57 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -108.56 100.89 10.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.615 HD23 ' HE2' ' A' ' 50' ' ' MET . 36.7 mt -47.1 -42.93 19.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.486 ' CB ' ' HD2' ' A' ' 43' ' ' LYS . . . -41.4 -49.7 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 p -78.12 -29.54 48.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt -66.85 -31.34 71.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.683 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -54.17 118.64 4.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -163.14 -57.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.454 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -132.2 -63.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -65.71 -28.14 68.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.683 HD23 ' CA ' ' A' ' 56' ' ' ALA . 3.9 tp -120.48 146.54 46.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.415 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 32.7 mm-40 -148.98 126.37 11.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.7 mt -97.81 157.42 16.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -130.34 150.4 51.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -152.7 126.41 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 74' ' ' THR . 6.5 t -141.5 162.81 34.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.428 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 61.5 t80 -132.39 144.95 50.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 71' ' ' ARG . 33.2 mp0 -124.24 105.33 9.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.454 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -68.17 -37.34 80.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.431 ' CD2' ' HB3' ' A' ' 67' ' ' GLU . 1.4 p-80 -54.36 -36.21 63.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.0 p -112.22 -9.16 13.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 67' ' ' GLU . 14.2 mtt85 56.73 51.57 10.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.69 HG13 ' O ' ' A' ' 31' ' ' VAL . 91.7 t -143.1 135.25 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.591 ' HB3' ' CZ ' ' A' ' 75' ' ' PHE . 76.3 m-85 -90.26 124.12 34.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.499 ' O ' HG22 ' A' ' 65' ' ' THR . 62.3 m -106.93 106.85 17.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.138 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.591 ' CZ ' ' HB3' ' A' ' 73' ' ' TYR . 14.3 m-85 -104.39 142.71 34.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.548 ' HG2' HD13 ' A' ' 28' ' ' ILE . 6.6 mt-10 -135.77 167.07 21.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 31.3 ttp -136.7 102.71 4.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 61' ' ' GLN . 2.8 tt0 -89.04 111.46 22.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.524 HG12 HD12 ' A' ' 60' ' ' LEU . 3.1 mt -102.53 117.9 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.4 mp -103.53 130.47 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.1 mttt 64.05 45.66 4.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.89 112.67 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -89.84 166.07 13.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.34 -24.03 41.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.43 -16.57 61.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.408 ' O ' HD12 ' A' ' 107' ' ' LEU . 3.1 m-85 -79.87 -10.26 59.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.055 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -88.42 118.99 28.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 170.19 -123.99 1.1 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.445 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -116.66 138.54 51.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 9.2 m-85 -122.29 144.74 48.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -130.93 158.02 41.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 7.1 t -139.58 128.9 24.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -118.11 130.71 56.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 94' ' ' VAL . 13.3 p -140.99 115.0 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.9 m -110.13 141.17 43.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.159 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.512 ' O ' ' C ' ' A' ' 97' ' ' LYS . 5.3 t80 -134.51 -179.53 5.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' A' ' 96' ' ' TYR . 46.5 mttt -27.82 -74.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -132.48 30.51 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -138.35 133.03 32.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -141.63 130.49 23.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -135.72 154.61 51.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 52.1 p -136.4 123.16 21.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 16.2 t -124.34 126.34 45.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 100.0 p -112.33 149.51 32.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 90' ' ' TYR . 1.9 p90 -135.22 176.77 8.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -118.37 131.87 56.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.452 HD22 ' O ' ' A' ' 17' ' ' GLY . 1.9 tm? -117.78 131.72 56.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.691 ' CB ' HG23 ' A' ' 18' ' ' THR . 2.0 mp0 -111.64 153.31 26.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 1.055 HG23 ' HB2' ' A' ' 87' ' ' ALA . 21.8 t -136.48 117.39 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -103.0 143.89 31.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.97 128.08 34.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.0 t -80.23 78.77 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.552 HG22 ' O ' ' A' ' 113' ' ' THR . 15.5 m 59.04 37.61 24.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.12 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -92.45 -169.69 40.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.52 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 77.5 p -126.67 159.05 34.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.861 0.362 . . . . 0.0 111.145 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 20.9 p -105.72 152.27 40.09 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.619 0.723 . . . . 0.0 111.124 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 170.72 15.88 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -68.55 168.83 12.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 28.6 mt -130.99 110.01 17.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 21.5 t0 48.42 40.92 15.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.0 t -88.85 118.96 28.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -146.94 162.54 28.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 139.67 41.11 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.368 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.3 m -88.94 -59.55 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.0 m -79.8 117.8 21.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.7 p -129.4 -45.16 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.909 0.385 . . . . 0.0 110.865 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 t -66.51 81.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.48 146.08 32.48 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.6 p -108.89 -46.21 3.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.895 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -137.89 147.78 44.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.2 76.16 1.32 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.522 HG23 ' O ' ' A' ' 8' ' ' ILE . 14.5 tt -166.5 118.74 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 111.099 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.48 HD22 ' O ' ' A' ' 32' ' ' LYS . 10.9 mt -82.76 -59.49 2.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.657 ' HZ ' ' HB1' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -54.26 84.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' ' 9' ' ' LEU . 4.6 tp -55.88 -42.04 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.45 ' N ' HG23 ' A' ' 11' ' ' ILE . 9.7 tm-20 -123.78 142.27 51.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -130.2 145.12 55.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.608 0.718 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 120.95 7.66 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -90.38 17.47 7.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 48.89 -178.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.525 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -174.37 -148.22 6.47 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.429 HG21 ' NE2' ' A' ' 110' ' ' HIS . 16.9 m -142.32 125.38 16.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.805 0.336 . . . . 0.0 111.172 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.7 p -123.49 143.03 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -73.86 153.17 39.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.99 117.61 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.143 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.85 -9.82 62.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -82.14 -178.43 7.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -128.49 126.11 39.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.7 tt -127.01 152.78 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 m -132.55 135.6 46.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -105.5 154.59 20.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.401 HD13 ' HG2' ' A' ' 76' ' ' GLU . 38.9 mm -113.04 136.44 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.657 ' HB1' ' HZ ' ' A' ' 10' ' ' PHE . . . -157.4 112.82 2.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.117 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -114.7 169.28 9.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.644 ' O ' HG13 ' A' ' 72' ' ' VAL . 9.6 p -146.52 138.14 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.48 ' O ' HD22 ' A' ' 9' ' ' LEU . 4.7 tptm -76.19 114.27 14.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.03 167.83 9.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.065 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -133.81 -43.88 0.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.46 ' OD1' ' C ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -97.86 156.11 16.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.8 mt -101.36 -47.24 4.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.9 mt -43.03 -47.25 5.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.522 ' CD ' ' HE2' ' A' ' 97' ' ' LYS . 8.9 mmt180 -90.43 153.78 20.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt -141.68 123.19 8.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.571 0.7 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 148.87 66.05 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.646 2.23 . . . . 0.0 112.359 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.6 m -114.4 139.52 49.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.204 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.675 ' HA ' HG12 ' A' ' 94' ' ' VAL . 5.7 tt -109.02 151.86 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -142.58 117.05 9.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -89.37 134.52 34.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.472 ' CE1' ' OD1' ' A' ' 51' ' ' ASP . 67.5 m-85 -126.12 171.74 10.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.455 ' HD3' ' N ' ' A' ' 47' ' ' GLY . 11.1 tmtt? -162.15 145.88 12.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.455 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 69.55 -132.44 24.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.52 ' HD2' ' CE2' ' A' ' 49' ' ' TRP . 6.5 tmtm? -104.4 -55.89 2.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.52 ' CE2' ' HD2' ' A' ' 48' ' ' LYS . 17.8 m95 -112.15 -31.81 6.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.496 ' CE ' HD23 ' A' ' 52' ' ' LEU . 5.9 ttp -42.78 118.65 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.589 ' OD2' ' HB3' ' A' ' 53' ' ' ALA . 18.5 t70 -112.77 101.96 10.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.496 HD23 ' CE ' ' A' ' 50' ' ' MET . 33.7 mt -49.75 -39.23 36.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.589 ' HB3' ' OD2' ' A' ' 51' ' ' ASP . . . -43.1 -49.12 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 p -79.47 -20.82 46.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt -74.03 -28.89 61.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.601 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -55.36 119.84 6.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -164.16 -68.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.439 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -123.07 -63.68 1.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -64.0 -29.19 70.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.601 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.9 tp -121.06 146.15 47.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.401 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 35.4 mm-40 -148.42 124.31 10.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.0 mt -94.71 162.44 13.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -138.37 145.57 41.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -152.19 126.05 9.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.597 HG23 ' OE2' ' A' ' 67' ' ' GLU . 15.1 t -138.08 166.27 24.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.453 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 39.2 t80 -128.01 144.14 51.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.597 ' OE2' HG23 ' A' ' 65' ' ' THR . 12.8 mp0 -126.05 95.61 4.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.459 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -63.66 -28.89 70.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -51.29 -37.78 49.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.8 m -123.06 -0.23 8.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 31.7 mtm-85 59.5 48.58 9.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 31' ' ' VAL . 87.4 t -139.17 133.19 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.574 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 37.6 m-85 -90.57 137.77 32.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.513 ' O ' HG22 ' A' ' 65' ' ' THR . 16.4 m -115.32 106.0 13.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 73' ' ' TYR . 7.8 m-85 -105.45 133.45 50.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.401 ' HG2' HD13 ' A' ' 28' ' ' ILE . 20.9 mt-10 -125.03 167.29 14.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 47.1 ttp -134.85 99.37 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -88.32 111.85 22.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.949 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.49 HG12 HD12 ' A' ' 60' ' ' LEU . 2.8 mt -103.16 117.0 47.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.452 HG22 ' HG3' ' A' ' 81' ' ' LYS . 2.3 mp -102.86 130.89 52.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.452 ' HG3' HG22 ' A' ' 80' ' ' ILE . 18.2 mttm 61.04 52.83 3.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.68 112.63 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.083 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -86.91 168.3 13.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.3 -10.86 3.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -85.97 -16.29 38.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -78.71 -6.39 55.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.018 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -90.4 124.98 35.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.067 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 166.05 -134.43 3.29 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -116.73 123.72 47.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.624 ' CB ' ' CE2' ' A' ' 105' ' ' PHE . 3.7 m-85 -101.32 159.28 15.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -152.8 123.71 7.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.0 p -115.42 137.58 51.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.462 ' HG2' ' CB ' ' A' ' 102' ' ' SER . 30.7 mt-10 -134.4 132.19 39.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.675 HG12 ' HA ' ' A' ' 42' ' ' ILE . 3.3 m -134.75 117.5 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.0 m -100.47 113.39 26.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -107.8 154.71 21.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.522 ' HE2' ' CD ' ' A' ' 38' ' ' ARG . 9.5 mmtm -52.78 -45.87 67.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.69 -72.54 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -139.01 165.34 27.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -121.4 125.77 47.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -137.68 148.26 45.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.462 ' CB ' ' HG2' ' A' ' 93' ' ' GLU . 59.6 p -145.6 168.26 21.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 30.8 p -147.73 -178.87 6.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.9 m -140.99 143.86 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.624 ' CE2' ' CB ' ' A' ' 90' ' ' TYR . 0.5 OUTLIER -142.78 -176.79 5.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.3 150.93 49.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -130.55 129.87 43.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.4 ' CB ' HG23 ' A' ' 18' ' ' THR . 40.2 mt-10 -107.53 147.18 30.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 1.018 HG23 ' HB2' ' A' ' 87' ' ' ALA . 38.6 t -128.25 122.19 57.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.429 ' NE2' HG21 ' A' ' 18' ' ' THR . 17.5 m170 -103.29 140.98 36.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -64.48 123.63 19.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.6 t -73.47 105.71 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.846 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 53.5 p -141.09 117.41 10.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.152 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.54 124.14 7.44 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.504 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 33.3 m -84.81 129.73 34.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 111.167 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 80.9 p -81.71 144.92 53.16 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.567 0.698 . . . . 0.0 111.182 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 172.07 13.27 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.688 2.259 . . . . 0.0 112.358 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.484 ' CG ' ' N ' ' A' ' 119' ' ' ILE . 7.1 t30 -132.3 169.15 16.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.484 ' N ' ' CG ' ' A' ' 118' ' ' ASN . 63.9 mt -116.63 141.79 33.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -95.92 157.35 15.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 55.0 p -46.67 166.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -115.49 168.57 12.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 178.2 4.8 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.691 2.26 . . . . 0.0 112.359 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.4 t -120.97 170.5 9.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.4 t -108.96 176.03 5.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 t -120.48 103.98 9.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.889 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -105.45 159.8 15.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.94 -139.21 8.26 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -92.02 174.12 7.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.865 0.364 . . . . 0.0 110.884 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.5 p -117.59 98.58 6.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.34 177.63 26.27 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -138.57 115.33 10.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.856 0.36 . . . . 0.0 111.159 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.488 HD23 ' HB2' ' A' ' 101' ' ' ASP . 5.5 tp -77.65 -38.28 48.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.718 ' CD1' HG11 ' A' ' 94' ' ' VAL . 2.8 t80 -73.31 103.35 3.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.706 HD11 ' HB2' ' A' ' 32' ' ' LYS . 28.0 mm -41.84 -75.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.519 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 4.7 tp10 -109.55 143.17 39.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -107.99 140.31 21.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.594 0.711 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 83.11 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.735 2.29 . . . . 0.0 112.328 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -62.93 107.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.4 167.19 0.43 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.456 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.52 -146.91 4.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.489 HG23 ' CB ' ' A' ' 108' ' ' GLU . 14.1 m -142.65 110.91 6.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 0.0 111.098 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.7 p -106.07 141.66 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.94 153.65 39.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.3 t -63.11 123.16 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.16 -16.94 59.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -74.91 -175.3 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.5 p-10 -130.27 120.95 25.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.5 tt -123.04 151.54 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.2 m -134.72 141.94 46.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -107.69 153.33 23.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.487 HD13 ' HG2' ' A' ' 76' ' ' GLU . 35.9 mm -113.18 139.26 39.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.161 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.448 ' HB1' ' HZ ' ' A' ' 10' ' ' PHE . . . -148.1 117.76 7.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.0 mtmt -116.82 148.86 40.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.925 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.491 ' O ' HG13 ' A' ' 72' ' ' VAL . 14.9 p -141.99 139.48 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.706 ' HB2' HD11 ' A' ' 11' ' ' ILE . 7.6 tptt -76.17 127.58 33.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -123.01 159.65 27.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -124.98 -44.46 1.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -93.56 131.96 38.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 40.6 mt -73.61 -50.4 21.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 mt -53.27 -47.45 69.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -72.96 143.91 47.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.475 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 33.5 ttmt -140.86 122.05 9.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.504 0.669 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.421 ' HD2' ' CE1' ' A' ' 73' ' ' TYR . 54.0 Cg_endo -69.78 139.55 40.41 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 65.8 m -97.61 144.69 27.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.721 HD11 ' SG ' ' A' ' 92' ' ' CYS . 11.8 tt -123.93 147.91 28.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.59 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 1.7 tppp? -136.33 126.74 26.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.404 ' HB3' HD12 ' A' ' 52' ' ' LEU . 42.9 m95 -96.72 124.87 40.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.59 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 64.0 m-85 -122.02 170.34 9.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 47' ' ' GLY . 11.0 tmtt? -160.56 145.67 14.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.411 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 70.24 -131.04 22.18 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.506 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.553 ' HB3' ' CD1' ' A' ' 49' ' ' TRP . 3.8 tmtp? -104.23 -56.51 2.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.758 0.313 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.553 ' CD1' ' HB3' ' A' ' 48' ' ' LYS . 4.3 m95 -113.41 -30.53 6.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.941 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.586 ' CE ' HD23 ' A' ' 52' ' ' LEU . 2.8 ttp -43.74 114.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.498 ' CG ' ' CE1' ' A' ' 45' ' ' PHE . 32.8 t0 -108.62 100.12 9.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.586 HD23 ' CE ' ' A' ' 50' ' ' MET . 42.4 mt -44.56 -34.56 2.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.925 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.456 ' HB3' ' OD2' ' A' ' 51' ' ' ASP . . . -45.87 -50.84 13.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.59 -11.96 59.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.456 ' CE ' ' HG2' ' A' ' 50' ' ' MET . 50.8 mmtt -85.1 -19.23 32.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.728 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -67.14 113.18 4.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.072 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.477 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . -154.18 -71.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.51 ' CG ' ' N ' ' A' ' 59' ' ' HIS . 2.7 ptpp? -124.16 -48.49 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.787 0.327 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.51 ' N ' ' CG ' ' A' ' 58' ' ' LYS . 78.5 m-70 -77.28 -16.93 58.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.728 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.0 tp -134.32 145.68 49.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.932 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 76.7 mm-40 -150.39 124.89 9.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.0 mt -91.05 162.59 14.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -138.2 148.39 44.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -151.64 129.04 11.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.481 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 11.7 t -140.4 157.47 45.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.172 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.515 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 35.9 t80 -128.64 144.77 51.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -127.86 91.92 3.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.452 ' HD2' ' CE2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -59.35 -24.87 63.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -52.98 -35.85 59.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.3 m -125.75 -0.58 7.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.462 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 34.5 mtm-85 60.07 45.52 11.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 31' ' ' VAL . 94.0 t -133.53 132.15 57.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 66' ' ' PHE . 85.6 m-85 -91.33 155.14 18.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.481 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 86.1 m -137.93 106.35 5.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -104.21 139.07 39.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.487 ' HG2' HD13 ' A' ' 28' ' ' ILE . 7.6 mt-10 -131.02 166.82 20.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 44.6 ttp -134.98 97.71 3.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -82.88 110.65 18.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.54 HG12 HD12 ' A' ' 60' ' ' LEU . 2.8 mt -102.42 112.14 34.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.496 ' H ' HD12 ' A' ' 80' ' ' ILE . 2.0 mp -97.68 136.34 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.169 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.4 mttt 55.74 50.64 13.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.78 115.23 1.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.081 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -89.68 173.9 8.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.84 -7.73 12.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -89.95 -12.49 38.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.564 ' O ' HD12 ' A' ' 107' ' ' LEU . 3.4 m-85 -83.52 1.1 43.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.042 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -99.49 129.72 45.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.092 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 160.43 -130.28 2.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -116.11 122.28 44.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.537 ' CB ' ' CE2' ' A' ' 105' ' ' PHE . 7.4 m-85 -102.56 135.6 43.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -125.69 121.55 33.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.721 ' SG ' HD11 ' A' ' 42' ' ' ILE . 2.9 t -114.12 138.09 50.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.468 ' OE1' ' CZ ' ' A' ' 100' ' ' PHE . 20.5 mm-40 -128.04 132.12 49.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.718 HG11 ' CD1' ' A' ' 10' ' ' PHE . 3.4 p -125.68 113.03 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.5 m -104.42 112.48 25.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 97' ' ' LYS . 12.1 t80 -116.56 135.3 53.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 96' ' ' TYR . 4.7 mmmt -34.32 -47.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.415 ' HB2' ' CD2' ' A' ' 96' ' ' TYR . 1.7 m-20 -63.6 -73.43 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.402 ' HB2' HD22 ' A' ' 9' ' ' LEU . 53.6 mttt -136.44 159.8 40.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.468 ' CZ ' ' OE1' ' A' ' 93' ' ' GLU . 0.7 OUTLIER -117.03 117.65 30.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.488 ' HB2' HD23 ' A' ' 9' ' ' LEU . 26.2 t70 -108.44 172.0 7.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.427 ' CB ' ' OE2' ' A' ' 93' ' ' GLU . 34.6 p -140.68 166.98 23.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 15.3 t -159.52 147.17 17.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 99.4 p -141.91 133.0 26.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.537 ' CE2' ' CB ' ' A' ' 90' ' ' TYR . 0.5 OUTLIER -136.25 179.98 6.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.858 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -128.66 125.69 38.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.596 HD13 ' N ' ' A' ' 108' ' ' GLU . 2.5 tm? -105.77 138.73 41.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.596 ' N ' HD13 ' A' ' 107' ' ' LEU . 11.6 mp0 -119.2 148.3 43.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 1.042 HG23 ' HB2' ' A' ' 87' ' ' ALA . 37.2 t -125.37 119.95 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.461 ' NE2' HG21 ' A' ' 18' ' ' THR . 18.3 m170 -103.0 141.73 35.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -63.59 120.6 12.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 29.1 t -66.87 137.58 56.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 24.1 p -59.38 113.07 1.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.153 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -161.15 -51.76 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.469 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 3.9 t -89.07 166.96 13.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.845 0.355 . . . . 0.0 111.196 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 41.8 p -52.76 139.44 41.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.548 0.69 . . . . 0.0 111.162 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 149.6 67.53 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.376 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -121.83 177.45 5.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 31.3 mm -108.57 133.71 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -135.8 105.55 6.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.7 m -140.21 157.94 44.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 178.46 -113.49 0.41 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.517 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 178.2 4.83 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.673 2.249 . . . . 0.0 112.326 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.5 m -65.58 164.23 14.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.7 t -73.85 122.34 22.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.811 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.452 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.3 t -85.87 117.46 24.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.916 0.389 . . . . 0.0 110.89 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.5 p -155.84 156.12 34.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.87 64.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -128.58 113.77 15.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m -118.71 155.86 30.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.816 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.17 71.65 0.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.453 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.4 tt -119.01 156.42 21.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.867 0.365 . . . . 0.0 111.152 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 11' ' ' ILE . 12.5 mt -76.4 -51.22 12.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.19 76.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 12' ' ' GLU . 6.6 tt -55.98 -41.9 69.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.119 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.46 ' N ' HG23 ' A' ' 11' ' ' ILE . 1.2 tp10 -106.76 153.81 21.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HG3' ' C ' ' A' ' 12' ' ' GLU . 2.9 mtmp? -142.45 136.56 14.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.711 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 119.24 6.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.319 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -92.45 27.4 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 38.28 -157.98 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.597 ' O ' HD22 ' A' ' 107' ' ' LEU . . . 171.83 -156.62 26.14 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.512 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.65 HG23 ' CB ' ' A' ' 108' ' ' GLU . 3.0 m -135.29 118.74 16.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 111.162 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.7 p -116.48 144.31 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.406 ' HD2' ' O ' ' A' ' 111' ' ' GLU . 1.0 OUTLIER -79.07 152.18 31.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 110' ' ' HIS . 80.0 t -60.67 116.56 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.133 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.78 -12.07 60.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -79.98 -177.15 5.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 110.936 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -128.68 121.75 29.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.5 tt -123.06 152.57 27.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 m -136.43 136.47 39.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.154 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -106.79 154.5 20.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.484 ' CG2' ' HE2' ' A' ' 30' ' ' LYS . 37.4 mm -115.56 134.48 58.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.088 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.41 112.72 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.069 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.484 ' HE2' ' CG2' ' A' ' 28' ' ' ILE . 21.6 mtmt -114.82 164.63 13.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.574 ' O ' HG13 ' A' ' 72' ' ' VAL . 10.0 p -140.04 144.54 27.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.161 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.437 ' O ' HD22 ' A' ' 9' ' ' LEU . 15.9 tptt -77.08 122.02 24.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -123.73 147.1 47.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.084 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -118.66 -46.18 2.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -89.24 120.2 30.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 70.3 mt -66.56 -47.86 71.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 mt -50.19 -40.63 47.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -81.3 137.48 35.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.429 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 3.7 ttmm -130.44 120.13 18.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.611 0.719 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.4 ' HD2' ' CZ ' ' A' ' 73' ' ' TYR . 54.2 Cg_endo -69.7 168.98 19.9 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.9 m -134.28 132.24 39.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.465 ' HA ' HG22 ' A' ' 94' ' ' VAL . 6.5 tt -113.42 134.42 56.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -128.79 117.84 21.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.559 ' CE3' ' SG ' ' A' ' 92' ' ' CYS . 45.5 m95 -85.42 139.41 31.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -131.87 167.65 19.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.574 ' HD3' ' CE1' ' A' ' 90' ' ' TYR . 20.9 tptm -145.68 153.3 40.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.73 -127.2 40.89 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.508 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.614 ' HG3' ' CD1' ' A' ' 49' ' ' TRP . 16.3 tptm -102.91 -60.25 1.58 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.73 0.3 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.614 ' CD1' ' HG3' ' A' ' 48' ' ' LYS . 77.2 m95 -128.2 38.0 4.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.1 ttp -94.61 126.53 39.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -97.0 120.69 37.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.1 mt -82.95 -41.33 18.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -42.46 -42.5 3.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.2 t -72.37 -34.65 68.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -65.87 -35.27 80.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.606 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -54.24 112.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -157.88 -58.74 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -129.86 -58.24 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -70.29 -27.0 64.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.606 HD23 ' CA ' ' A' ' 56' ' ' ALA . 3.9 tp -124.55 145.5 49.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.406 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 29.5 mm-40 -148.26 125.73 11.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.7 mt -93.5 162.8 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -136.88 146.88 46.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -152.56 129.21 10.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.489 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 14.8 t -142.73 163.94 31.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.124 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.446 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 45.1 t80 -125.85 145.13 50.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -129.46 91.34 3.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.412 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -60.33 -32.48 71.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -38.02 -49.02 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.5 m -118.49 3.52 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.564 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 14.3 mtt85 62.96 41.73 8.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 31' ' ' VAL . 95.3 t -128.46 134.85 63.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.456 ' HB2' HG12 ' A' ' 31' ' ' VAL . 63.7 m-85 -90.76 152.4 20.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.489 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 11.5 m -131.49 114.53 15.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.45 ' C ' ' OE2' ' A' ' 76' ' ' GLU . 6.9 m-85 -113.93 141.2 47.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.45 ' OE2' ' C ' ' A' ' 75' ' ' PHE . 1.4 mp0 -135.04 166.82 22.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 45.2 ttp -134.96 99.98 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -85.67 108.78 18.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.523 HG12 HD12 ' A' ' 60' ' ' LEU . 2.6 mt -100.42 115.03 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.4 mp -100.22 134.77 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.5 mttt 57.54 47.89 15.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.03 114.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -89.34 166.16 13.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.32 -25.36 48.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -72.69 -16.73 61.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -78.87 -6.32 55.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.011 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -88.74 115.75 26.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 172.05 -153.13 18.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -98.28 120.52 38.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.357 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.651 ' CB ' ' CZ ' ' A' ' 105' ' ' PHE . 16.1 m-85 -98.42 150.52 21.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -134.85 156.43 48.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.559 ' SG ' ' CE3' ' A' ' 44' ' ' TRP . 1.8 m -144.51 145.32 31.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -139.68 120.56 14.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.465 HG22 ' HA ' ' A' ' 42' ' ' ILE . 85.3 t -127.49 104.37 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.776 HG23 ' HB2' ' A' ' 100' ' ' PHE . 6.2 m -94.2 118.68 31.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -108.54 164.06 12.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.473 ' N ' ' HD3' ' A' ' 97' ' ' LYS . 11.2 mmtt -55.89 -49.7 72.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -65.02 -70.19 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -137.33 168.66 19.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.776 ' HB2' HG23 ' A' ' 95' ' ' THR . 2.0 t80 -116.43 128.17 55.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -122.7 149.46 44.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 79.5 p -145.37 139.07 26.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 50.6 m -140.35 165.62 26.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 37.5 m -142.12 164.27 30.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.651 ' CZ ' ' CB ' ' A' ' 90' ' ' TYR . 30.9 p90 -146.48 -175.67 4.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -128.68 124.7 36.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.597 HD22 ' O ' ' A' ' 17' ' ' GLY . 2.7 tm? -111.01 135.39 51.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.65 ' CB ' HG23 ' A' ' 18' ' ' THR . 38.2 mt-10 -115.11 144.46 43.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 1.011 HG23 ' HB2' ' A' ' 87' ' ' ALA . 20.6 t -124.77 116.99 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.468 ' O ' HG23 ' A' ' 21' ' ' VAL . 21.4 m170 -103.02 141.57 35.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.406 ' O ' ' HD2' ' A' ' 20' ' ' LYS . 13.2 mt-10 -62.11 128.67 37.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.0 t -79.44 105.62 10.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 70.7 p -98.92 -53.46 3.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 127.87 107.41 1.4 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.516 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 26.7 p -94.98 158.66 15.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 0.0 111.164 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 44.1 p -54.14 146.4 30.59 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.537 0.684 . . . . 0.0 111.17 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 112.65 3.13 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.253 . . . . 0.0 112.35 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -64.68 169.97 4.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 66.8 mt -126.26 129.45 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -106.2 159.41 16.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.2 m -63.6 150.3 44.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -38.0 100.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -179.72 3.11 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.357 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 39.5 t -59.81 -60.76 3.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 60.0 p -124.6 152.92 42.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.466 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -108.67 -57.22 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.905 0.383 . . . . 0.0 110.873 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.8 p -146.65 155.6 42.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.43 124.48 6.44 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.464 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 m -50.12 178.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.369 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -113.0 86.36 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.52 130.87 6.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.591 ' H ' HD12 ' A' ' 8' ' ' ILE . 4.9 mp -76.15 122.53 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.639 HD22 ' C ' ' A' ' 99' ' ' LYS . 23.2 tp -60.25 -51.78 68.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.51 ' CZ ' ' HB1' ' A' ' 29' ' ' ALA . 2.2 t80 -73.92 82.9 1.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.919 HD11 ' HD2' ' A' ' 32' ' ' LYS . 73.4 mt -33.97 -75.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.442 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 3.3 tp10 -98.48 156.95 16.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -132.32 128.06 21.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.544 0.688 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 107.49 1.88 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 16' ' ' GLY . 81.1 mm-40 -82.12 39.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 15' ' ' GLN . . . 37.94 -158.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.513 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.585 ' O ' HD22 ' A' ' 107' ' ' LEU . . . 174.22 -156.44 23.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.438 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.569 HG23 ' CB ' ' A' ' 108' ' ' GLU . 3.6 m -137.96 118.97 14.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.835 0.35 . . . . 0.0 111.175 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.8 p -115.55 141.88 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HD2' ' C ' ' A' ' 111' ' ' GLU . 1.1 tppp? -74.09 156.04 37.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 110' ' ' HIS . 62.7 t -62.59 123.95 16.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.54 -17.17 57.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.47 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -76.08 -176.6 3.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.869 -179.862 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.735 ' OD2' HG23 ' A' ' 80' ' ' ILE . 3.4 m-20 -131.16 132.38 44.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.429 ' CG1' ' N ' ' A' ' 26' ' ' THR . 10.4 tt -129.16 157.63 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.429 ' N ' ' CG1' ' A' ' 25' ' ' ILE . 5.2 m -138.06 138.08 38.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -108.17 145.21 34.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.414 HD13 ' HG2' ' A' ' 76' ' ' GLU . 36.6 mm -103.41 147.33 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.129 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.51 ' HB1' ' CZ ' ' A' ' 10' ' ' PHE . . . -159.61 115.18 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -109.61 148.35 31.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.564 ' O ' HG13 ' A' ' 72' ' ' VAL . 98.4 t -134.55 138.65 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.919 ' HD2' HD11 ' A' ' 11' ' ' ILE . 8.6 tptt -76.63 132.91 39.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.769 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -132.6 155.57 48.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -127.88 -45.15 1.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -97.94 117.43 32.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.0 mt -56.89 -46.19 82.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 mt -54.6 -42.54 71.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.8 mmp_? -76.03 124.03 26.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -125.87 116.92 24.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.552 0.691 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 162.47 41.96 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.697 2.265 . . . . 0.0 112.36 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.1 m -120.54 140.44 51.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.1 tt -119.59 131.23 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.439 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 3.3 tppt? -130.3 115.85 17.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.662 ' HB3' HD12 ' A' ' 52' ' ' LEU . 34.8 m95 -84.67 135.25 34.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.439 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 52.1 m-85 -129.5 155.95 44.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.913 ' HB2' HD21 ' A' ' 52' ' ' LEU . 3.2 tttt -140.14 162.54 35.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.48 -127.25 43.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.509 ' HG2' ' CE2' ' A' ' 49' ' ' TRP . 19.7 ttmt -104.07 -58.4 1.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.328 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.509 ' CE2' ' HG2' ' A' ' 48' ' ' LYS . 5.2 m95 -127.91 19.31 6.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.879 ' HE1' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -77.74 129.09 35.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.492 ' N ' ' SD ' ' A' ' 50' ' ' MET . 23.5 t70 -107.39 112.38 25.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.913 HD21 ' HB2' ' A' ' 46' ' ' LYS . 15.8 mt -65.06 -32.38 74.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.475 ' HB3' ' OD2' ' A' ' 51' ' ' ASP . . . -48.6 -34.33 11.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.4 t -77.14 -31.17 55.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm -72.09 -26.13 62.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.47 114.67 2.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.28 -76.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -120.2 -38.75 2.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.771 0.32 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 80' ' ' ILE . 85.5 m-70 -81.3 -35.06 31.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.83 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.588 HD21 ' CD2' ' A' ' 62' ' ' LEU . 5.2 tt -127.67 142.0 51.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -140.12 117.18 11.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.588 ' CD2' HD21 ' A' ' 60' ' ' LEU . 14.3 mt -83.38 164.9 19.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -137.87 154.53 49.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -152.69 132.62 13.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.46 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 4.7 t -147.78 159.1 44.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -129.69 151.02 50.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -129.04 96.25 4.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -24.85 67.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -50.66 -43.56 57.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.6 m -122.31 7.2 9.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.769 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 30.7 mtm-85 56.7 37.18 28.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 31' ' ' VAL . 86.8 t -119.84 136.36 57.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -93.53 153.63 18.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.46 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 58.9 m -137.37 108.94 6.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.15 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -107.9 133.92 51.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HG2' HD13 ' A' ' 28' ' ' ILE . 6.2 mt-10 -121.53 167.73 12.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.513 ' SD ' ' CG1' ' A' ' 79' ' ' ILE . 9.9 tmm? -140.01 106.2 5.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -93.24 133.16 36.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.513 ' CG1' ' SD ' ' A' ' 77' ' ' MET . 2.0 mt -121.82 107.27 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.735 HG23 ' OD2' ' A' ' 24' ' ' ASP . 1.6 mp -92.75 131.82 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.8 mttt 66.37 49.06 1.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.09 105.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.6 mttp -82.32 165.58 20.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -60.68 -15.1 25.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.425 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 4.4 m120 -84.98 -5.22 59.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -86.98 -11.38 50.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.08 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -82.93 112.34 19.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -178.35 -149.15 7.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.522 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -105.83 118.7 37.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.578 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 8.9 m-85 -98.14 168.63 10.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -148.59 139.14 22.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 47.0 t -116.99 126.34 52.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.437 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 14.7 mp0 -123.36 122.96 39.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 62.6 t -139.28 119.63 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.8 m -103.72 157.36 17.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.462 ' O ' ' C ' ' A' ' 97' ' ' LYS . 6.2 t80 -149.84 176.87 10.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 96' ' ' TYR . 25.9 mtpt -33.3 -71.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -132.75 26.5 4.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.639 ' C ' HD22 ' A' ' 9' ' ' LEU . 2.2 mmmm -137.57 124.48 21.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -143.16 126.75 16.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -144.91 133.92 22.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.4 p -118.44 140.75 49.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 18.9 p -133.76 139.31 46.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 90.3 p -112.9 140.26 47.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 90' ' ' TYR . 2.0 p90 -124.11 -177.45 3.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.87 126.18 44.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.585 HD22 ' O ' ' A' ' 17' ' ' GLY . 2.6 tm? -115.13 127.12 55.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.569 ' CB ' HG23 ' A' ' 18' ' ' THR . 15.6 mm-40 -110.45 157.0 20.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 1.08 HG23 ' HB2' ' A' ' 87' ' ' ALA . 21.5 t -133.57 121.81 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.459 ' O ' HG23 ' A' ' 21' ' ' VAL . 21.5 m170 -103.29 146.13 28.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.4 ' C ' ' HD2' ' A' ' 20' ' ' LYS . 27.9 mt-10 -67.81 123.07 19.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 31.0 t -67.16 -57.43 6.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 28.6 p -50.08 119.88 3.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -70.24 101.42 0.89 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 25.3 p -137.55 167.52 21.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.352 . . . . 0.0 111.159 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 38.5 p -71.98 142.09 84.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.708 . . . . 0.0 111.131 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -176.63 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -143.05 165.46 27.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 41.5 mt -97.37 116.17 39.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -93.34 114.49 26.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 99.0 p -79.61 142.5 35.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -98.48 153.04 19.87 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.532 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 174.06 10.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.661 2.24 . . . . 0.0 112.34 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.4 t -131.8 -179.87 5.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.3 t 39.69 45.15 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.443 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 m -111.54 166.44 11.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 m -111.21 174.52 5.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.18 124.48 1.08 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.1 m -113.0 175.35 5.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.885 0.374 . . . . 0.0 110.848 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.6 p -86.95 140.94 29.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.87 154.17 26.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.513 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.3 mt -139.12 122.39 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 111.143 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 9' ' ' LEU . 4.4 mm? -97.12 150.39 20.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.729 ' HD1' HG22 ' A' ' 31' ' ' VAL . 0.8 OUTLIER 66.08 54.57 0.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.472 ' C ' ' O ' ' A' ' 10' ' ' PHE . 17.0 mm -31.42 -66.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -99.04 157.1 16.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -126.65 143.17 45.5 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.578 0.704 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 97.64 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.643 2.228 . . . . 0.0 112.363 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -73.63 108.61 6.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.88 169.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.71 ' O ' HD22 ' A' ' 107' ' ' LEU . . . -161.47 -162.64 13.14 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.428 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.573 HG23 ' CB ' ' A' ' 108' ' ' GLU . 6.6 m -131.18 113.76 14.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.827 0.346 . . . . 0.0 111.15 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.0 p -109.36 139.66 31.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.435 ' HB3' ' CD ' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -73.6 149.61 41.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.7 t -59.04 119.0 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.34 -17.03 57.44 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.416 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.501 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 0.9 OUTLIER -78.89 -177.56 5.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -179.873 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.64 130.28 48.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.858 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.8 tt -129.85 152.68 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.5 m -137.91 141.23 40.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -110.17 141.92 42.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.465 HD13 ' HG2' ' A' ' 76' ' ' GLU . 33.9 mm -101.61 135.89 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -147.05 113.34 5.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -108.04 151.4 25.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.729 HG22 ' HD1' ' A' ' 10' ' ' PHE . 13.2 t -137.98 137.28 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -75.94 127.11 32.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -124.28 164.26 19.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -128.93 -45.47 1.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -96.75 124.16 40.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.4 mt -59.4 -44.76 92.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mt -60.7 -54.56 43.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.8 mmp_? -56.7 124.36 18.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.439 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 29.6 ttmt -127.54 119.29 21.6 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.568 0.699 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 172.24 13.01 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.713 2.275 . . . . 0.0 112.33 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.2 m -129.32 131.49 46.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.119 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.535 ' HA ' HG22 ' A' ' 94' ' ' VAL . 6.9 tt -114.2 123.9 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.139 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -119.64 118.05 29.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -85.74 147.24 26.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 91' ' ' ARG . 55.3 m-85 -142.24 160.63 39.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.848 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.714 ' HB2' HD21 ' A' ' 52' ' ' LEU . 13.1 tmtt? -146.35 145.56 30.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.466 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 69.07 -133.56 26.63 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.486 ' HD3' ' NE1' ' A' ' 49' ' ' TRP . 0.1 OUTLIER -103.86 -51.17 3.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.759 0.314 . . . . 0.0 110.885 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.486 ' NE1' ' HD3' ' A' ' 48' ' ' LYS . 15.1 m95 -115.06 -33.83 5.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.8 ttp -44.14 121.8 2.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.569 ' OD2' ' HB3' ' A' ' 53' ' ' ALA . 10.5 t0 -113.45 112.94 24.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.823 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.714 HD21 ' HB2' ' A' ' 46' ' ' LYS . 36.2 mt -56.55 -38.58 72.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.569 ' HB3' ' OD2' ' A' ' 51' ' ' ASP . . . -45.11 -46.96 12.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.4 t -74.68 -28.23 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -71.49 -29.49 64.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.737 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -56.33 122.41 11.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -179.71 -53.41 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.437 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -129.06 -72.07 0.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 80' ' ' ILE . 94.9 m-70 -65.32 -15.27 62.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.737 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.5 tp -133.63 144.53 49.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.407 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 9.3 mm-40 -148.51 122.82 9.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.605 HD23 ' HG2' ' A' ' 77' ' ' MET . 16.2 mt -91.34 164.57 13.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -139.06 153.05 48.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -152.53 136.01 15.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.476 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 6.6 t -144.88 165.72 27.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.135 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.508 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 47.2 t80 -132.97 140.81 47.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -125.05 94.22 4.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.43 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -63.96 -27.93 69.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -44.27 -49.31 9.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.0 m -120.65 8.31 10.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.525 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 10.5 mtt85 56.8 51.67 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.928 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 31' ' ' VAL . 52.3 t -130.09 129.82 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.508 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 70.8 m-85 -93.35 135.31 34.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.476 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 91.3 m -121.39 116.3 24.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.168 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.466 ' CE1' ' HB3' ' A' ' 73' ' ' TYR . 15.1 m-85 -115.16 128.37 56.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.465 ' HG2' HD13 ' A' ' 28' ' ' ILE . 4.4 mt-10 -115.35 168.6 9.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.605 ' HG2' HD23 ' A' ' 62' ' ' LEU . 12.0 tmm? -141.53 105.05 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -87.43 139.87 30.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.566 HG12 HD12 ' A' ' 60' ' ' LEU . 2.2 mt -127.27 100.15 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.673 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.2 mp -86.87 143.23 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.8 mttm 49.67 48.79 21.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.74 117.89 2.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.2 mttm -93.18 166.78 12.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.59 -25.15 59.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -72.5 -16.37 61.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.464 ' O ' HD12 ' A' ' 107' ' ' LEU . 3.5 m-85 -78.07 -9.16 59.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.974 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -88.06 122.59 31.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 163.49 -152.68 22.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -92.0 128.12 37.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -108.95 136.24 48.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 45' ' ' PHE . 5.8 ttt180 -128.42 139.17 52.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 41.8 t -129.2 159.1 37.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -148.39 119.25 7.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.535 HG22 ' HA ' ' A' ' 42' ' ' ILE . 73.3 t -126.84 110.18 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.895 HG23 ' HB2' ' A' ' 100' ' ' PHE . 5.2 m -102.67 127.6 49.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -116.04 162.19 17.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -53.83 -42.69 68.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -72.07 -70.8 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -137.82 168.23 20.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.895 ' HB2' HG23 ' A' ' 95' ' ' THR . 1.7 t80 -113.3 133.88 54.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.419 ' CG ' ' HB2' ' A' ' 10' ' ' PHE . 3.1 p30 -116.38 153.21 32.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 79.4 p -148.64 134.51 19.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 11.2 m -152.59 135.36 15.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 98.8 p -115.63 152.5 33.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.443 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 2.2 p90 -136.93 -175.21 3.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.34 139.72 52.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.71 HD22 ' O ' ' A' ' 17' ' ' GLY . 3.4 tm? -125.44 127.76 47.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.573 ' CB ' HG23 ' A' ' 18' ' ' THR . 21.3 mt-10 -107.99 151.82 25.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.974 HG23 ' HB2' ' A' ' 87' ' ' ALA . 23.5 t -132.08 119.65 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -103.17 143.39 32.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -61.83 127.78 33.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.9 t -77.59 -30.55 52.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.3 t -81.33 -3.97 54.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.127 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -121.18 92.55 0.5 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.519 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 40.3 p -140.36 151.47 45.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.807 0.337 . . . . 0.0 111.167 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.7 p -60.67 143.0 91.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.577 0.703 . . . . 0.0 111.154 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 166.94 26.0 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.698 2.265 . . . . 0.0 112.296 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -72.52 178.83 3.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 44.7 mm -70.82 132.93 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.164 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -86.34 169.71 12.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 24.7 p -59.72 140.53 56.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -82.58 -156.63 20.21 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -177.09 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.712 2.275 . . . . 0.0 112.347 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 58.5 p -144.92 148.28 33.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 73.9 m -46.85 142.48 3.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 t -44.23 -49.27 9.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.2 t -91.05 120.65 32.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.824 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.39 -159.98 30.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.452 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 t -115.82 126.37 53.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 0.0 110.849 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 m -139.47 156.34 47.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.19 79.91 0.21 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.6 mp -120.77 114.4 43.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.366 . . . . 0.0 111.125 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.456 HD22 ' CB ' ' A' ' 99' ' ' LYS . 5.4 tp -112.88 75.68 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.96 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.463 ' CD2' ' O ' ' A' ' 12' ' ' GLU . 1.4 t80 -153.39 116.17 4.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.66 HD11 ' HD3' ' A' ' 32' ' ' LYS . 29.7 mm -61.72 -75.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.463 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 2.1 tp10 -99.92 159.12 15.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -128.98 131.05 23.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.583 0.706 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 82.7 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.694 2.263 . . . . 0.0 112.344 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -70.24 102.87 2.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.03 164.7 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.92 -143.97 3.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.495 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.59 HG23 ' CB ' ' A' ' 108' ' ' GLU . 6.0 m -142.73 118.91 10.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 111.169 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.8 p -116.19 144.89 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -76.28 153.75 35.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 110' ' ' HIS . 54.5 t -61.76 120.4 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.95 -15.92 61.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.465 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.3 179.04 6.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.902 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -126.07 122.87 37.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.9 tt -123.09 151.67 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.8 m -134.77 142.16 46.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -110.22 142.39 41.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.483 HD13 ' HG2' ' A' ' 76' ' ' GLU . 34.3 mm -101.94 138.78 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.3 114.9 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.094 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -115.91 156.23 26.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.444 ' CG1' ' HB2' ' A' ' 73' ' ' TYR . 9.8 p -141.94 138.18 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.143 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.66 ' HD3' HD11 ' A' ' 11' ' ' ILE . 3.3 tptm -77.41 117.6 19.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -115.16 152.78 31.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -116.69 -47.28 2.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -89.73 160.67 16.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.8 mt -104.53 -41.87 5.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.507 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.1 mm? -56.46 -30.87 63.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -96.55 142.77 28.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -134.07 121.44 15.68 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.557 0.694 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 118.29 5.59 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.655 2.236 . . . . 0.0 112.356 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.4 m -83.07 135.69 34.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.182 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.443 ' O ' HG23 ' A' ' 42' ' ' ILE . 7.9 tt -115.28 125.41 72.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -120.4 117.41 27.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.938 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -83.94 144.17 29.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.969 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.46 ' CE1' ' OD1' ' A' ' 51' ' ' ASP . 52.2 m-85 -140.05 164.52 29.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER -159.79 145.95 15.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.468 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 76.64 -131.38 11.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -104.31 -53.84 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.409 ' CD1' ' N ' ' A' ' 49' ' ' TRP . 0.8 OUTLIER -122.18 -25.95 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.427 ' CE ' HD23 ' A' ' 52' ' ' LEU . 6.7 ttp -43.19 129.54 4.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.46 ' OD1' ' CE1' ' A' ' 45' ' ' PHE . 42.0 t0 -117.82 106.63 13.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.427 HD23 ' CE ' ' A' ' 50' ' ' MET . 35.8 mt -53.42 -32.74 51.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -46.58 -53.74 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.28 -11.96 60.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -83.56 -32.4 25.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.728 ' N ' HD23 ' A' ' 60' ' ' LEU . . . -60.7 114.17 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.091 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 161.37 -34.88 0.39 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -100.94 -72.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.546 ' CE1' ' HD2' ' A' ' 81' ' ' LYS . 84.0 m-70 -112.45 7.05 18.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.728 HD23 ' N ' ' A' ' 56' ' ' ALA . 4.9 tp -131.28 145.64 51.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 78' ' ' GLN . 58.0 mm-40 -149.42 124.16 9.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.2 mt -96.31 165.59 12.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -139.98 149.84 43.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -151.81 129.82 11.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.463 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 13.1 t -144.36 159.2 43.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.558 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 44.4 t80 -125.54 146.58 49.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -129.51 92.23 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -33.46 71.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -39.23 -43.2 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.5 p -123.4 2.36 9.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 15.6 mtt85 62.2 43.5 8.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 31' ' ' VAL . 71.5 t -126.86 138.59 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 66' ' ' PHE . 67.3 m-85 -98.22 145.69 26.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.463 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 11.0 m -127.41 107.87 10.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 73' ' ' TYR . 9.0 m-85 -109.52 124.67 51.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.483 ' HG2' HD13 ' A' ' 28' ' ' ILE . 10.9 mt-10 -113.71 165.33 12.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 35.3 ttp -135.05 100.41 4.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' GLN . 2.4 tt0 -84.53 133.01 34.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.48 HG12 HD12 ' A' ' 60' ' ' LEU . 2.2 mt -123.76 103.82 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.645 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.3 mp -89.51 147.62 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.546 ' HD2' ' CE1' ' A' ' 59' ' ' HIS . 32.2 mttt 44.62 51.41 8.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.12 106.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.43 ' HE2' ' CD2' ' A' ' 59' ' ' HIS . 45.7 mttt -79.73 158.39 26.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.966 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.419 ' HA ' HG11 ' A' ' 109' ' ' VAL . 13.2 m-20 -56.16 -17.59 7.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -80.01 -21.65 43.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.405 ' CE2' HG23 ' A' ' 79' ' ' ILE . 5.0 m-85 -66.28 -5.93 12.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.647 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -85.69 127.59 34.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 166.04 -148.72 14.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -105.73 119.57 39.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.401 ' CE1' ' HB3' ' A' ' 107' ' ' LEU . 6.5 m-85 -98.71 157.21 16.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -151.64 127.09 10.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 13.2 p -112.26 146.82 37.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -128.07 120.2 26.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 94' ' ' VAL . 9.6 p -116.71 107.54 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.2 p -97.65 157.19 16.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.46 ' O ' ' C ' ' A' ' 97' ' ' LYS . 5.3 t80 -157.57 178.12 10.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 96' ' ' TYR . 28.0 mtpt -32.83 -74.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -133.71 24.35 4.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.804 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.456 ' CB ' HD22 ' A' ' 9' ' ' LEU . 55.7 mttt -138.3 112.7 8.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -124.27 139.44 53.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.419 ' HB2' ' CG1' ' A' ' 94' ' ' VAL . 32.3 m-20 -129.97 157.22 42.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 55.4 p -143.78 123.02 12.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 62.4 m -123.94 162.42 23.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 90.4 p -139.73 139.41 36.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.581 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 0.1 OUTLIER -133.18 162.27 32.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -111.69 124.73 52.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.65 HD13 ' C ' ' A' ' 107' ' ' LEU . 3.2 tm? -110.36 129.47 55.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.59 ' CB ' HG23 ' A' ' 18' ' ' THR . 27.5 mt-10 -109.28 151.02 27.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.647 HG23 ' HB2' ' A' ' 87' ' ' ALA . 39.7 t -130.06 117.99 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.423 ' O ' HG23 ' A' ' 21' ' ' VAL . 20.0 m170 -103.26 144.7 31.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -63.83 130.26 43.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.3 t -82.12 16.79 1.82 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 72.6 p -112.21 137.9 49.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 126.76 146.1 6.44 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 50.3 p -93.95 158.87 15.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 111.101 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 61.1 p -57.92 140.71 81.63 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.542 0.686 . . . . 0.0 111.177 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 103.09 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -49.26 153.84 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 24.2 mt -118.36 141.43 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -48.07 105.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.6 m -135.56 159.34 41.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -96.97 128.76 9.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 127.59 14.81 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 89.4 p -66.38 -43.17 86.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.0 t -119.83 110.57 16.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.491 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 p -80.83 162.96 23.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.895 0.379 . . . . 0.0 110.845 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 m -154.25 164.55 38.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.24 -55.14 0.23 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.44 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 t -44.21 116.22 0.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.928 0.394 . . . . 0.0 110.864 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.3 p -132.57 119.78 20.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.07 101.77 0.84 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.458 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp -148.78 170.63 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.75 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -104.07 -43.8 5.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -52.78 89.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.556 HG23 ' N ' ' A' ' 12' ' ' GLU . 2.2 tp -72.77 -47.58 49.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.556 ' N ' HG23 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -89.68 144.54 25.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.493 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 13.2 mmmt -128.5 114.94 19.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.606 0.717 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 97.43 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.311 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' A' ' 13' ' ' LYS . 19.0 mp0 -78.93 115.5 18.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.0 159.77 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.11 -157.69 7.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.518 HG23 ' HB3' ' A' ' 108' ' ' GLU . 4.4 m -137.41 114.82 11.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 111.088 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.8 p -111.51 142.99 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -76.28 150.69 36.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.0 t -59.48 114.88 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.149 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.24 -11.12 60.11 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -81.93 177.25 8.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -122.63 119.78 31.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.7 tt -116.46 153.96 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 m -136.39 132.58 35.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -109.23 133.43 53.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.59 HD13 ' HG2' ' A' ' 76' ' ' GLU . 28.6 mm -91.91 127.84 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.34 112.03 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.42 ' HG3' ' CG1' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -128.09 156.48 42.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.817 ' O ' HG13 ' A' ' 72' ' ' VAL . 2.3 p -121.86 147.34 25.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -78.86 111.91 15.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -109.6 153.28 24.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -124.18 -47.63 1.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -85.72 140.28 30.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.8 mt -82.08 -50.35 9.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 mt -47.75 -41.37 23.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -83.38 154.43 24.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -146.58 119.88 5.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.556 ' HD2' ' CE1' ' A' ' 73' ' ' TYR . 54.0 Cg_endo -69.73 166.0 29.02 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.431 ' O ' HG23 ' A' ' 94' ' ' VAL . 90.8 m -138.34 133.95 33.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.588 HD11 ' SG ' ' A' ' 92' ' ' CYS . 9.2 tt -104.2 153.65 6.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.567 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -143.56 123.29 13.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -97.72 131.07 44.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.961 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.567 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 54.1 m-85 -126.59 157.47 38.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.8 ' HB2' HD21 ' A' ' 52' ' ' LEU . 22.0 tptm -135.95 147.08 47.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.92 -131.3 42.94 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 tttt -103.85 -49.48 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.747 0.308 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 19.3 m95 -116.51 -35.04 4.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.423 ' HE2' HD23 ' A' ' 52' ' ' LEU . 2.1 ttp -42.3 113.9 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -104.13 118.21 36.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.8 HD21 ' HB2' ' A' ' 46' ' ' LYS . 38.5 mt -65.3 -41.49 94.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -42.78 -34.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.0 t -85.34 -29.7 24.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' LEU . 65.7 mmtt -71.58 -28.62 63.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.731 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -54.36 109.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -157.88 -62.26 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.518 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -126.11 -58.4 1.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.334 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 80' ' ' ILE . 87.2 m-70 -71.02 -18.67 62.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.731 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.2 tp -132.61 145.65 51.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.4 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 27.0 mm-40 -148.55 124.52 10.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.5 mt -93.15 158.12 15.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -135.21 147.3 49.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -149.99 132.85 16.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.508 HG22 ' O ' ' A' ' 74' ' ' THR . 11.2 t -146.37 152.78 39.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.558 ' HB2' ' CD2' ' A' ' 73' ' ' TYR . 31.8 t80 -119.57 139.57 51.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -121.86 88.68 2.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.458 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -53.61 -27.45 26.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -52.79 -34.55 53.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.802 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.3 m -124.61 -6.48 7.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.823 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.497 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 21.6 mtt180 64.67 47.44 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.817 HG13 ' O ' ' A' ' 31' ' ' VAL . 87.4 t -139.04 131.03 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.076 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.562 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 34.8 m-85 -89.63 121.24 31.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.508 ' O ' HG22 ' A' ' 65' ' ' THR . 34.7 m -97.48 103.92 15.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 73' ' ' TYR . 14.7 m-85 -100.78 136.52 40.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.59 ' HG2' HD13 ' A' ' 28' ' ' ILE . 15.5 mt-10 -126.94 166.81 16.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 48.1 ttp -134.94 99.04 4.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.32 111.21 20.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.536 HG12 HD12 ' A' ' 60' ' ' LEU . 2.7 mt -103.03 108.03 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.612 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.3 mp -92.92 147.44 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.5 mttt 44.63 52.07 7.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.23 124.42 17.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.065 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -99.6 175.96 5.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.13 -7.7 13.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -90.25 -15.57 31.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.405 ' CD2' ' CG2' ' A' ' 79' ' ' ILE . 3.0 m-85 -81.15 -6.42 58.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.027 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -98.13 113.14 24.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 179.31 -136.56 2.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.512 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -109.95 115.09 29.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.569 ' CE1' ' HD3' ' A' ' 46' ' ' LYS . 7.1 m-85 -95.88 151.82 19.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.466 ' NH1' ' CB ' ' A' ' 104' ' ' SER . 0.1 OUTLIER -137.63 121.35 17.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.588 ' SG ' HD11 ' A' ' 42' ' ' ILE . 36.9 t -111.28 138.67 47.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -139.04 123.04 17.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 94' ' ' VAL . 7.1 p -129.26 106.32 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.788 HG23 ' HB2' ' A' ' 100' ' ' PHE . 3.3 m -93.17 124.57 37.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -114.56 169.32 9.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -60.17 -49.06 79.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -63.84 -72.6 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -136.99 168.36 19.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.788 ' HB2' HG23 ' A' ' 95' ' ' THR . 2.4 t80 -113.11 126.74 55.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -117.4 153.81 32.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.0 t -147.73 158.28 43.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 30.3 p -155.95 161.86 40.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.466 ' CB ' ' NH1' ' A' ' 91' ' ' ARG . 91.2 p -139.96 157.11 46.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.555 ' CD2' ' HB2' ' A' ' 90' ' ' TYR . 1.0 OUTLIER -156.25 -178.09 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -131.08 134.6 46.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.845 HD23 ' N ' ' A' ' 108' ' ' GLU . 2.7 tt -113.61 143.24 44.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.845 ' N ' HD23 ' A' ' 107' ' ' LEU . 4.0 mm-40 -119.39 153.15 35.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 1.027 HG23 ' HB2' ' A' ' 87' ' ' ALA . 66.2 t -134.71 121.83 36.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.173 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -103.34 144.43 31.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -63.78 127.82 33.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.5 t -74.98 102.47 4.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 29.1 m -157.97 135.57 10.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.182 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -39.81 146.69 0.24 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 26.9 m -126.71 135.2 50.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.847 0.356 . . . . 0.0 111.14 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 33.8 p -75.35 149.98 84.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 111.127 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 177.31 5.74 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.703 2.269 . . . . 0.0 112.291 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -132.57 176.4 8.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 71.6 mt -93.28 118.93 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.97 174.71 10.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 55.4 m -100.4 166.48 10.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -96.26 167.59 25.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.509 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 101.25 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.6 t -90.86 163.01 14.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.0 t -56.37 163.2 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.448 -179.948 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 m -97.78 102.28 13.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.3 m -60.93 140.95 57.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.817 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.24 41.84 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.523 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -86.92 94.97 9.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 0.0 110.784 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -93.33 -58.11 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.825 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.82 134.82 3.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.0 mt -111.21 99.79 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 0.0 111.136 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 11' ' ' ILE . 11.2 mp -41.29 -50.49 3.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.451 ' CD2' ' O ' ' A' ' 12' ' ' GLU . 0.3 OUTLIER -60.12 79.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 9' ' ' LEU . 7.9 tt -55.76 -35.58 40.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.451 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.1 tp10 -114.75 155.56 26.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -143.99 140.18 16.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.618 0.723 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 118.37 5.64 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.716 2.278 . . . . 0.0 112.317 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -89.98 20.49 4.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 41.94 -160.78 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.439 ' O ' HD22 ' A' ' 107' ' ' LEU . . . 172.04 -151.04 13.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.497 HG23 ' CB ' ' A' ' 108' ' ' GLU . 6.1 m -141.1 118.84 11.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 111.161 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.9 p -112.35 139.28 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.156 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.3 154.38 38.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.5 t -61.46 119.58 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.91 -17.26 59.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.9 -175.43 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -131.75 122.15 25.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.6 tt -121.29 153.5 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 m -135.26 129.34 33.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -98.8 151.86 20.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.3 mm -115.13 135.73 54.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -158.68 113.43 2.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -113.16 169.73 8.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.62 ' O ' HG13 ' A' ' 72' ' ' VAL . 10.4 p -143.0 140.46 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -75.89 118.8 19.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -117.53 159.2 23.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -123.31 -47.75 1.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.45 159.82 17.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.6 mt -105.06 -44.64 4.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.452 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.5 mm? -50.08 -40.52 45.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.1 mmt-85 -87.95 151.53 22.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.444 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 31.4 ttmt -144.23 122.01 6.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.553 0.692 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 173.85 10.41 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.637 2.224 . . . . 0.0 112.365 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.0 m -136.69 139.73 42.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.149 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.458 HG21 ' HB3' ' A' ' 75' ' ' PHE . 14.8 tt -115.4 128.16 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.599 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 2.9 tppp? -121.32 116.54 25.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.604 ' CE3' ' SG ' ' A' ' 92' ' ' CYS . 57.5 m95 -86.11 132.2 34.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.599 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 49.4 m-85 -126.81 149.41 49.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.759 ' HB2' HD21 ' A' ' 52' ' ' LEU . 20.0 tptp -125.52 142.46 51.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.97 -130.98 39.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.504 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.445 ' HG2' ' CD1' ' A' ' 49' ' ' TRP . 12.2 ttpt -104.35 -52.78 2.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.445 ' CD1' ' HG2' ' A' ' 48' ' ' LYS . 16.7 m95 -109.47 -37.5 5.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -42.48 116.59 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.415 ' OD2' ' HB3' ' A' ' 53' ' ' ALA . 15.0 t70 -108.76 116.49 32.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.759 HD21 ' HB2' ' A' ' 46' ' ' LYS . 54.8 mt -62.05 -43.27 99.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.454 ' CB ' ' HD2' ' A' ' 43' ' ' LYS . . . -41.95 -34.69 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.0 t -85.85 -27.32 25.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 52' ' ' LEU . 35.2 mmtm -75.26 -29.76 60.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.672 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -55.54 110.43 0.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -153.74 -62.25 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.521 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm -131.05 -50.32 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -74.04 -23.88 59.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.672 HD23 ' CA ' ' A' ' 56' ' ' ALA . 3.3 tp -127.47 146.47 50.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.419 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 35.7 mm-40 -149.08 126.41 11.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.2 mt -94.54 165.46 12.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -141.06 145.98 36.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -152.01 126.93 9.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.477 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 15.3 t -141.2 163.92 31.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.558 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 28.0 t80 -127.87 143.26 51.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -122.23 92.86 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.4 ' HA ' ' CZ ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -60.0 -26.52 66.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -54.56 -36.25 64.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 t -123.23 -1.56 8.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.688 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 19.0 mtt180 62.51 35.05 14.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 31' ' ' VAL . 81.3 t -126.03 140.62 48.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 66' ' ' PHE . 58.7 m-85 -96.06 148.99 22.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.477 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 28.6 m -124.06 103.85 8.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.458 ' HB3' HG21 ' A' ' 42' ' ' ILE . 10.0 m-85 -100.08 135.53 41.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -132.22 164.48 26.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 43.1 ttp -134.97 99.1 4.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -85.13 108.33 17.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.483 HG12 HD12 ' A' ' 60' ' ' LEU . 2.4 mt -100.67 114.42 39.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.4 mp -99.47 137.62 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 47.2 mttt 55.42 49.08 17.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.36 113.38 0.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -90.01 167.77 12.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.26 -16.77 15.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -80.53 -15.09 57.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -81.08 -11.26 59.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.021 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -86.04 128.68 34.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.059 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 159.19 -139.76 6.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -111.62 129.12 56.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.594 ' CB ' ' CZ ' ' A' ' 105' ' ' PHE . 5.3 m-85 -106.57 162.67 13.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -148.15 127.96 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.604 ' SG ' ' CE3' ' A' ' 44' ' ' TRP . 10.6 m -116.11 150.01 38.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -144.25 121.32 11.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.8 t -124.09 107.97 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.819 HG23 ' HB2' ' A' ' 100' ' ' PHE . 3.7 m -100.33 109.09 21.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -104.21 152.52 22.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 97' ' ' LYS . 24.1 mmtt -44.85 -49.08 11.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -62.87 -70.94 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.446 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 70.1 mmtt -138.48 167.71 21.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.819 ' HB2' HG23 ' A' ' 95' ' ' THR . 2.7 t80 -119.15 123.12 43.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -125.81 146.77 49.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.8 p -138.27 164.73 28.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 14.8 p -158.27 164.1 36.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 60.7 p -137.3 147.11 45.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.594 ' CZ ' ' CB ' ' A' ' 90' ' ' TYR . 41.0 p90 -134.91 -175.02 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.846 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -128.07 133.39 49.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.524 HD13 ' N ' ' A' ' 108' ' ' GLU . 3.2 tm? -121.62 132.58 54.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.524 ' N ' HD13 ' A' ' 107' ' ' LEU . 6.3 mm-40 -115.21 153.9 30.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 1.021 HG23 ' HB2' ' A' ' 87' ' ' ALA . 39.5 t -133.45 118.75 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -103.0 142.73 33.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.825 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -60.52 129.91 43.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 44.8 t -80.15 88.71 5.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 55.2 p -124.01 149.29 46.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -124.16 133.57 8.79 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.512 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 6.1 t -85.76 129.82 34.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 111.15 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 37.0 p -126.51 143.62 46.81 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.572 0.701 . . . . 0.0 111.104 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 96.37 0.59 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.713 2.275 . . . . 0.0 112.375 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.89 175.12 10.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.768 HD12 ' H ' ' A' ' 119' ' ' ILE . 5.2 mp -41.9 117.32 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -70.16 136.09 49.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 86.0 p -51.06 124.43 11.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -107.79 85.65 0.42 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -1.78 9.05 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.694 2.263 . . . . 0.0 112.331 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 55.3 p -38.88 -60.0 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.3 p 49.03 30.85 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 -179.964 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 m -68.76 158.42 34.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.876 0.37 . . . . 0.0 110.848 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -87.5 146.3 25.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.17 79.52 0.27 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 t -145.59 140.93 27.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.379 . . . . 0.0 110.857 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.6 p -173.63 149.69 1.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.79 152.81 7.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.77 120.3 62.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 111.122 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -102.41 -40.8 6.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.577 ' CD2' ' O ' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -91.59 78.16 5.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.464 HG23 ' N ' ' A' ' 12' ' ' GLU . 2.2 tp -45.89 -42.59 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.577 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 7.3 tp10 -114.97 158.67 21.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -140.07 130.93 14.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 113.53 3.41 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.376 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -87.24 27.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 37.89 -157.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 171.18 -156.4 26.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.474 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.636 HG23 ' CB ' ' A' ' 108' ' ' GLU . 7.1 m -138.95 115.62 10.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 0.0 111.151 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.1 p -110.25 141.72 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HB3' ' CD ' ' A' ' 23' ' ' GLU . 0.7 OUTLIER -73.97 152.41 40.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.901 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 110' ' ' HIS . 70.2 t -60.13 119.72 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.24 -17.39 59.21 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 1.6 mp0 -77.29 179.44 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.866 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -125.34 126.87 45.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.2 tt -122.97 155.56 28.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 m -138.66 137.24 36.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -108.78 146.76 33.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.8 mm -110.31 130.99 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.144 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.84 113.0 4.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -110.73 160.73 16.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.4 HG22 ' CD1' ' A' ' 10' ' ' PHE . 91.7 t -136.88 134.64 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -76.67 114.73 15.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -122.21 144.71 48.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.441 ' O ' ' CD ' ' A' ' 71' ' ' ARG . 36.3 mt-10 -109.52 -51.12 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -83.89 161.97 20.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.8 mt -104.31 -39.97 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.9 mm? -48.78 -44.84 39.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -84.67 136.21 33.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.494 ' HG2' ' CE2' ' A' ' 73' ' ' TYR . 0.5 OUTLIER -120.29 118.56 31.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 110.893 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.517 ' HD2' ' CZ ' ' A' ' 73' ' ' TYR . 53.3 Cg_endo -69.77 105.37 1.47 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.283 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.473 ' C ' HG23 ' A' ' 94' ' ' VAL . 9.5 m -85.03 129.01 34.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.6 tt -108.22 145.95 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -138.2 116.99 12.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.446 ' HB3' HD12 ' A' ' 52' ' ' LEU . 55.1 m95 -83.82 134.93 34.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.956 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -127.5 165.64 19.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.442 ' HB2' HD21 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -149.03 153.96 38.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.03 -131.93 36.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.534 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.587 ' HB3' ' CD1' ' A' ' 49' ' ' TRP . 12.9 mmtm -104.46 -51.9 3.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.75 0.309 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.587 ' CD1' ' HB3' ' A' ' 48' ' ' LYS . 1.1 m95 -133.48 38.19 3.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 6.7 ttp -98.96 134.42 41.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -110.12 116.29 31.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.446 HD12 ' HB3' ' A' ' 44' ' ' TRP . 79.0 mt -73.34 -40.02 64.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -41.01 -43.1 2.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.9 t -75.06 -36.96 61.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.9 mmtt -65.39 -33.15 75.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.618 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -54.38 107.8 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -146.41 -67.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.527 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.4 mtmm -126.16 -56.08 1.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.405 ' O ' ' N ' ' A' ' 80' ' ' ILE . 94.8 m-70 -66.18 -31.6 72.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.876 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.618 HD23 ' CA ' ' A' ' 56' ' ' ALA . 3.0 tp -119.78 146.31 45.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.415 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 41.5 mm-40 -149.74 126.81 11.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.455 ' CD2' ' HG3' ' A' ' 77' ' ' MET . 23.6 mt -93.6 162.92 13.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.8 tttm -136.5 146.77 46.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -151.46 131.14 13.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.479 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 7.0 t -146.32 149.83 34.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.667 ' CE1' ' CE1' ' A' ' 73' ' ' TYR . 66.2 t80 -120.37 144.5 47.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -129.84 88.95 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -50.33 -36.39 31.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.812 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 68' ' ' ARG . 1.5 m-70 -34.73 -63.23 0.32 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.3 p -102.29 -1.51 30.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.441 ' CD ' ' O ' ' A' ' 34' ' ' GLU . 17.0 mtt85 64.15 37.43 8.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 90.0 t -120.94 131.26 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.667 ' CE1' ' CE1' ' A' ' 66' ' ' PHE . 29.1 m-85 -89.65 140.62 29.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.479 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 17.8 m -121.92 110.14 15.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.127 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 73' ' ' TYR . 25.7 m-85 -111.45 136.4 50.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.454 ' OE2' ' C ' ' A' ' 75' ' ' PHE . 1.6 mp0 -130.5 167.69 18.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.455 ' HG3' ' CD2' ' A' ' 62' ' ' LEU . 44.7 ttp -134.99 101.8 5.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -87.5 110.47 20.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.524 HG12 HD12 ' A' ' 60' ' ' LEU . 3.2 mt -102.32 114.7 42.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 59' ' ' HIS . 2.3 mp -100.34 135.59 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 53.2 mttt 57.9 48.42 13.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.05 111.96 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.067 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -87.52 160.92 18.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -55.29 -20.87 12.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -74.67 -22.4 58.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -70.9 -18.02 62.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.915 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -74.36 110.29 8.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 179.06 -159.35 24.14 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.452 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -85.87 133.15 33.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.586 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 13.0 m-85 -119.58 124.7 47.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -114.85 120.99 41.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 32.1 p -105.24 129.3 53.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -134.23 117.37 16.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.473 HG23 ' C ' ' A' ' 41' ' ' THR . 2.9 p -135.67 112.16 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.522 ' HA ' ' CB ' ' A' ' 100' ' ' PHE . 31.3 m -93.47 155.53 17.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.587 ' CE2' ' HD2' ' A' ' 97' ' ' LYS . 15.5 t80 -116.99 -73.67 0.63 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.587 ' HD2' ' CE2' ' A' ' 96' ' ' TYR . 32.4 mtpt -120.27 -76.94 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.92 -46.99 2.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm -107.3 120.92 43.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.522 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 11.3 p90 -121.33 170.74 9.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -134.86 114.69 12.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.8 p -104.66 170.47 7.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 2.0 t -148.02 176.81 9.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 84.2 p -141.81 137.51 31.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.586 ' CZ ' ' HB3' ' A' ' 90' ' ' TYR . 5.0 p90 -137.8 154.13 49.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -106.24 131.65 53.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.615 HD13 ' C ' ' A' ' 107' ' ' LEU . 3.3 tm? -108.99 125.69 52.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.636 ' CB ' HG23 ' A' ' 18' ' ' THR . 37.0 mt-10 -105.02 152.7 22.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.915 HG23 ' HB2' ' A' ' 87' ' ' ALA . 36.7 t -134.56 120.55 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.142 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.435 ' O ' HG23 ' A' ' 21' ' ' VAL . 25.7 m170 -103.27 146.55 28.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.74 125.36 25.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.9 t -71.43 137.9 48.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 29.4 p -45.96 143.83 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 134.87 59.79 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 9.1 t -139.58 146.53 39.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.87 0.366 . . . . 0.0 111.144 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 80.3 p -81.26 148.01 62.13 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.557 0.694 . . . . 0.0 111.146 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 123.58 10.22 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.343 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.404 ' CG ' ' N ' ' A' ' 119' ' ' ILE . 27.1 t-20 -97.43 168.17 10.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.404 ' N ' ' CG ' ' A' ' 118' ' ' ASN . 21.2 mm -91.02 134.69 28.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -123.8 156.5 35.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.6 t -121.86 151.08 41.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.804 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -156.0 144.16 10.58 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 157.03 61.83 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.665 2.244 . . . . 0.0 112.351 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 35.6 m -128.23 145.98 50.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 41.3 t -78.22 142.67 37.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 t -56.49 121.85 10.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 110.866 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -115.77 162.41 17.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.68 -173.24 33.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -123.71 165.42 17.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 m -69.48 -58.65 3.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.61 84.63 0.5 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 64.7 mt -127.54 -52.58 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.897 0.38 . . . . 0.0 111.15 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 99' ' ' LYS . 2.2 mt -51.29 -36.64 43.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.957 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.732 ' CD1' HG22 ' A' ' 31' ' ' VAL . 2.0 t80 -71.33 87.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.588 HD11 ' CD ' ' A' ' 32' ' ' LYS . 22.1 mm -41.28 -72.04 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.079 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.477 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 1.3 tp10 -101.88 148.1 25.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -125.38 128.41 24.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.558 0.694 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 106.93 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.348 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' GLY . 76.2 mm-40 -83.71 38.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' GLN . . . 37.08 -156.39 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.459 ' O ' HD22 ' A' ' 107' ' ' LEU . . . 173.43 -150.13 11.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.533 HG23 ' HB3' ' A' ' 108' ' ' GLU . 16.2 m -142.54 114.3 8.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.853 0.359 . . . . 0.0 111.119 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.9 p -113.52 141.88 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -73.59 153.26 40.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 110' ' ' HIS . 55.7 t -61.75 116.43 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.15 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.55 -6.62 61.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -85.53 -176.26 6.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.37 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -126.59 128.49 46.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.3 tt -127.13 157.61 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.8 m -137.94 138.79 39.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -110.55 140.19 45.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.9 mm -101.98 142.05 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.673 ' HB1' ' CZ ' ' A' ' 10' ' ' PHE . . . -157.99 112.94 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 mtmm -112.09 153.17 27.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.791 HG21 HG21 ' A' ' 94' ' ' VAL . 60.3 t -137.73 136.93 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.588 ' CD ' HD11 ' A' ' 11' ' ' ILE . 3.3 tptm -76.35 119.82 20.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.14 145.12 44.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.45 ' O ' ' NH1' ' A' ' 71' ' ' ARG . 55.2 mt-10 -105.77 -39.46 6.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -100.27 152.35 20.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.522 HD21 ' HD3' ' A' ' 71' ' ' ARG . 1.7 mt -111.45 4.19 18.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.5 mt -89.04 -27.96 20.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.471 ' HD2' ' N ' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -103.79 178.52 4.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -148.59 121.56 4.57 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.56 0.695 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 120.53 7.3 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.379 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.8 m -79.92 138.65 37.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.433 ' O ' HG23 ' A' ' 42' ' ' ILE . 17.2 tt -128.2 124.0 61.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.488 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 1.6 tppt? -121.32 126.66 50.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -94.15 130.07 40.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.488 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 48.2 m-85 -125.5 146.4 49.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.872 ' HB2' HD21 ' A' ' 52' ' ' LEU . 25.2 tptp -122.29 148.95 44.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.85 -130.83 51.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.468 ' HD2' ' NE1' ' A' ' 49' ' ' TRP . 8.5 tmtm? -104.67 -55.8 2.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.757 0.313 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.468 ' NE1' ' HD2' ' A' ' 48' ' ' LYS . 12.7 m95 -103.1 -35.64 8.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.543 ' CE ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -41.97 127.31 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.44 ' OD2' ' CE1' ' A' ' 45' ' ' PHE . 56.9 t0 -121.66 109.79 15.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.872 HD21 ' HB2' ' A' ' 46' ' ' LYS . 14.4 mt -60.36 -35.14 74.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.467 ' CB ' ' HD2' ' A' ' 43' ' ' LYS . . . -44.69 -46.55 10.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.2 t -79.25 -32.29 43.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.4 -24.59 67.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.645 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -57.54 113.82 1.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.22 -79.16 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -117.62 -37.24 3.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 80' ' ' ILE . 76.7 m-70 -90.63 -7.36 52.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.645 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.4 tp -145.97 147.6 31.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.442 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 7.5 mm-40 -148.15 124.66 11.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.3 mt -93.0 150.89 20.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -128.92 153.27 47.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -152.77 132.89 13.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 74' ' ' THR . 7.3 t -148.52 153.29 38.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.571 ' CE1' ' CE1' ' A' ' 73' ' ' TYR . 41.5 t80 -123.77 145.93 48.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -130.15 91.73 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.48 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -61.31 -32.89 72.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -44.26 -39.73 4.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.437 ' O ' HG23 ' A' ' 72' ' ' VAL . 1.0 OUTLIER -121.72 6.44 9.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.816 -179.803 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.522 ' HD3' HD21 ' A' ' 36' ' ' LEU . 12.8 mtm180 52.95 50.88 16.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 70' ' ' SER . 78.5 t -140.17 129.99 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.571 ' CE1' ' CE1' ' A' ' 66' ' ' PHE . 48.2 m-85 -89.83 144.74 25.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.516 ' O ' HG22 ' A' ' 65' ' ' THR . 85.8 m -127.01 108.6 11.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -108.17 126.36 52.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -114.81 168.4 9.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.503 ' SD ' ' CG1' ' A' ' 79' ' ' ILE . 10.3 tmm? -141.25 105.27 4.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -86.52 138.18 31.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.603 HG12 HD12 ' A' ' 60' ' ' LEU . 2.3 mt -125.78 102.88 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.595 ' H ' HD12 ' A' ' 80' ' ' ILE . 0.9 OUTLIER -91.08 135.72 26.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 36.3 mttt 57.27 48.16 15.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.17 118.69 3.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.053 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -94.55 164.64 12.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.98 -29.85 31.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -68.23 -23.72 64.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.561 ' O ' HD12 ' A' ' 107' ' ' LEU . 2.7 m-85 -72.57 1.0 9.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.961 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -95.38 152.55 18.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.69 -133.71 6.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.445 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -116.01 130.4 56.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.886 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 6.8 m-85 -101.8 170.12 8.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -153.65 121.7 6.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 20.1 t -108.73 126.06 52.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -115.83 118.65 33.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.791 HG21 HG21 ' A' ' 31' ' ' VAL . 5.1 p -123.5 109.34 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.9 m -102.72 136.32 42.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.133 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.486 ' CD2' ' OD2' ' A' ' 98' ' ' ASP . 4.7 t80 -139.32 176.66 8.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.5 ' HD2' ' N ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -63.03 -71.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.894 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.486 ' OD2' ' CD2' ' A' ' 96' ' ' TYR . 0.1 OUTLIER -40.13 -75.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.455 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 63.6 mmtt -139.25 168.89 18.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.447 ' CE1' ' OG ' ' A' ' 102' ' ' SER . 0.9 OUTLIER -119.56 118.0 29.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -110.57 155.9 21.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.447 ' OG ' ' CE1' ' A' ' 100' ' ' PHE . 34.3 m -149.24 128.21 12.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.2 m -127.27 171.63 11.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 85.4 p -141.77 161.22 38.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 90' ' ' TYR . 2.3 p90 -146.12 -176.92 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -124.73 138.31 54.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 86' ' ' PHE . 2.9 tm? -126.0 129.27 48.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.533 ' HB3' HG23 ' A' ' 18' ' ' THR . 13.9 mt-10 -110.89 147.51 34.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.961 HG23 ' HB2' ' A' ' 87' ' ' ALA . 21.5 t -128.19 120.81 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.067 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.574 ' O ' HG23 ' A' ' 21' ' ' VAL . 25.5 m170 -103.13 153.18 20.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -73.28 125.3 27.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.617 ' O ' HG23 ' A' ' 113' ' ' THR . 6.9 t -68.08 125.66 27.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.617 HG23 ' O ' ' A' ' 112' ' ' SER . 38.4 p -162.42 141.4 9.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.171 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -67.11 71.87 0.2 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 70.4 p -140.47 162.78 34.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 111.132 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 76.0 p -132.18 140.58 38.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.642 0.734 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 149.92 67.71 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.685 2.257 . . . . 0.0 112.328 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -63.7 147.74 50.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 18.1 mt -111.22 125.57 68.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 121' ' ' SER . 4.1 p-10 -148.87 138.41 21.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 120' ' ' ASP . 33.5 t -37.6 146.68 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 89.29 69.37 1.25 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.509 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -49.67 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.677 2.251 . . . . 0.0 112.316 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 81.5 p -165.41 168.37 16.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.2 m -146.44 139.87 25.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.461 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 m -131.22 113.04 13.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 0.0 110.909 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -47.46 132.43 13.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.68 88.11 0.4 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.0 t -149.93 167.14 27.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 m -115.77 -41.33 3.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.827 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.29 135.99 13.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.447 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.89 129.98 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 111.096 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.667 ' HB3' HG13 ' A' ' 31' ' ' VAL . 76.8 mt -87.86 -179.06 6.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.791 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.4 OUTLIER 54.88 45.99 25.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.55 HG23 ' N ' ' A' ' 12' ' ' GLU . 2.3 tp -37.96 -46.74 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.55 ' N ' HG23 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -95.96 146.03 24.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.468 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 33.7 mttt -120.5 108.28 37.79 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.711 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.405 ' HG3' ' HB2' ' A' ' 29' ' ' ALA . 53.8 Cg_endo -69.79 85.97 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.656 2.238 . . . . 0.0 112.362 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -68.5 105.77 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.47 156.42 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.468 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.497 ' O ' HD22 ' A' ' 107' ' ' LEU . . . -134.35 -141.02 4.39 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.441 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.477 HG23 ' HB3' ' A' ' 108' ' ' GLU . 9.9 m -139.65 115.53 10.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 111.117 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.6 p -116.46 142.29 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' CB ' ' OE1' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -74.38 153.68 39.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.4 t -62.38 119.87 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.48 -13.8 62.55 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.442 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.405 ' OE1' ' CB ' ' A' ' 20' ' ' LYS . 12.3 mt-10 -77.11 -177.33 4.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -129.44 117.59 20.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.3 tt -117.9 154.61 19.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.6 m -139.27 143.5 37.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -115.07 145.77 41.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.4 mm -107.26 132.17 55.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.791 ' HB1' ' CE1' ' A' ' 10' ' ' PHE . . . -152.2 113.28 4.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.07 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -113.06 154.39 26.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.803 HG21 HG21 ' A' ' 94' ' ' VAL . 94.7 t -123.99 141.46 44.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -75.89 117.65 17.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -120.25 151.99 38.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -120.36 -48.48 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.57 168.05 11.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.0 mt -111.58 -29.98 7.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.56 -37.75 76.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -91.06 152.3 20.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -142.68 115.7 6.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.539 ' HD2' ' CZ ' ' A' ' 73' ' ' TYR . 53.1 Cg_endo -69.84 166.06 28.98 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.319 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.2 m -135.95 134.99 39.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.424 ' O ' HG23 ' A' ' 42' ' ' ILE . 19.3 tt -111.12 127.3 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.461 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 7.3 tppt? -117.0 120.44 38.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.521 ' CE3' ' SD ' ' A' ' 77' ' ' MET . 29.2 m95 -90.25 129.46 36.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.461 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 48.5 m-85 -123.54 146.97 47.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.827 ' HB2' HD21 ' A' ' 52' ' ' LEU . 25.4 tptp -123.52 153.96 39.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.829 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.452 ' N ' ' HG3' ' A' ' 46' ' ' LYS . . . 62.67 -125.45 35.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -104.08 -52.87 2.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.713 0.292 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -134.33 36.89 3.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.597 ' CE ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -92.16 127.77 37.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.85 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 5.0 t0 -103.2 108.95 20.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.827 HD21 ' HB2' ' A' ' 46' ' ' LYS . 20.1 mt -72.57 -27.86 62.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -45.43 -57.92 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.49 -27.22 65.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.437 ' CE ' ' SD ' ' A' ' 50' ' ' MET . 35.9 mmtt -71.87 -29.67 64.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.576 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -59.3 109.72 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.489 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . -147.34 -73.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -117.23 -57.21 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' A' ' 80' ' ' ILE . 87.9 m-70 -65.49 -34.58 78.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.576 HD23 ' CA ' ' A' ' 56' ' ' ALA . 3.4 tp -119.17 146.22 45.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 23.6 mm-40 -148.74 125.65 11.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.1 mt -96.29 154.47 17.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.425 ' HE3' ' CD ' ' A' ' 76' ' ' GLU . 13.1 ttpp -130.23 147.88 52.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -152.5 131.19 12.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.486 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 11.4 t -147.94 166.33 28.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.14 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.406 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 68.6 t80 -136.95 145.8 44.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -127.95 101.46 6.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.468 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -63.82 -26.65 68.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -50.74 -39.24 51.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 t -119.71 -1.91 10.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.486 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 15.1 mtt85 59.67 45.42 13.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.715 HG13 ' O ' ' A' ' 31' ' ' VAL . 91.8 t -136.49 136.7 48.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.539 ' CZ ' ' HD2' ' A' ' 40' ' ' PRO . 51.0 m-85 -89.83 145.52 25.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.486 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 30.0 m -124.48 103.4 8.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -104.09 138.14 41.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.507 ' N ' ' OE1' ' A' ' 76' ' ' GLU . 15.5 mp0 -131.02 165.65 22.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.521 ' SD ' ' CE3' ' A' ' 44' ' ' TRP . 39.9 ttp -134.96 98.1 3.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -86.23 112.88 21.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.505 HG12 HD12 ' A' ' 60' ' ' LEU . 2.8 mt -105.89 111.27 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' ' 59' ' ' HIS . 1.9 mp -98.47 141.05 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.153 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.8 mttm 55.78 45.93 23.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.19 114.57 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -92.54 166.71 12.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.34 -23.67 38.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -73.84 -18.36 60.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -77.75 -15.39 59.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.011 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -82.9 138.24 33.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 152.62 -121.08 1.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -128.63 122.37 30.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 110.838 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.647 ' CB ' ' CE2' ' A' ' 105' ' ' PHE . 20.7 m-85 -97.63 168.75 10.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.1 ttt85 -149.14 157.08 43.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.41 ' O ' ' CD ' ' A' ' 93' ' ' GLU . 2.0 t -142.96 144.48 32.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 92' ' ' CYS . 17.1 mp0 -142.86 118.18 10.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.803 HG21 HG21 ' A' ' 31' ' ' VAL . 7.5 p -126.25 128.63 71.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.407 HG22 ' CD2' ' A' ' 100' ' ' PHE . 19.7 p -111.76 174.47 5.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.16 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.481 ' O ' ' C ' ' A' ' 97' ' ' LYS . 4.4 t80 -168.87 -179.03 3.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.481 ' C ' ' O ' ' A' ' 96' ' ' TYR . 27.8 mtpt -30.6 -75.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -134.49 28.72 3.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.816 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.52 ' O ' HD11 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -138.94 129.65 26.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.407 ' CD2' HG22 ' A' ' 95' ' ' THR . 2.0 t80 -144.97 141.83 29.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -147.88 143.08 27.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.4 p -119.8 153.66 35.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 7.9 t -153.72 144.77 22.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 88.5 p -125.72 153.37 44.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.647 ' CE2' ' CB ' ' A' ' 90' ' ' TYR . 0.7 OUTLIER -139.66 -177.82 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.923 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -127.06 131.19 50.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.497 HD22 ' O ' ' A' ' 17' ' ' GLY . 2.1 tm? -117.0 130.39 56.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.477 ' HB3' HG23 ' A' ' 18' ' ' THR . 8.6 mt-10 -107.77 144.33 35.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 1.011 HG23 ' HB2' ' A' ' 87' ' ' ALA . 39.1 t -127.68 120.3 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.402 ' HB2' ' HD3' ' A' ' 20' ' ' LYS . 21.1 m170 -103.06 140.93 36.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -61.45 127.8 33.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.1 t -76.38 81.69 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 62.8 p -95.24 149.35 21.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.08 -113.25 0.27 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.47 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.455 ' O ' HG23 ' A' ' 115' ' ' THR . 13.8 t -81.23 125.77 30.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 111.146 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.7 p -85.97 151.52 54.82 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.548 0.689 . . . . 0.0 111.132 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 178.14 4.89 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.663 2.242 . . . . 0.0 112.31 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.411 ' C ' HG13 ' A' ' 119' ' ' ILE . 4.4 p-10 -45.23 162.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.411 HG13 ' C ' ' A' ' 118' ' ' ASN . 56.3 mt -144.75 137.75 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -73.17 99.6 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.3 m -71.15 166.75 20.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -89.61 134.32 12.31 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 2.28 3.69 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.31 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.5 p 67.84 38.21 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 7.9 t -151.11 136.55 17.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -86.56 -51.19 6.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.86 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.4 p -138.56 148.05 43.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.7 113.23 3.63 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.0 p -116.53 -46.99 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.848 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.3 p -131.53 152.45 50.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.89 126.99 5.44 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.513 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.1 mt -130.5 -52.1 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 111.112 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 11' ' ' ILE . 5.3 tt -76.48 -61.02 2.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 12' ' ' GLU . 2.0 t80 -41.86 91.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.668 HD11 ' HD3' ' A' ' 32' ' ' LYS . 29.7 mm -37.61 -67.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.583 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -109.6 147.38 33.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -126.96 133.55 25.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.554 0.692 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 111.55 2.85 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.315 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -90.57 30.31 1.17 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 42.55 -166.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.411 ' O ' HD22 ' A' ' 107' ' ' LEU . . . 178.6 -151.19 10.21 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.631 HG23 ' CB ' ' A' ' 108' ' ' GLU . 5.5 m -140.8 120.86 13.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 111.163 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.7 p -118.85 142.93 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.434 ' CB ' ' OE1' ' A' ' 23' ' ' GLU . 2.4 tppp? -74.28 154.25 39.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 110' ' ' HIS . 71.1 t -62.47 117.2 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.05 -4.98 61.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.465 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.434 ' OE1' ' CB ' ' A' ' 20' ' ' LYS . 25.9 mt-10 -86.89 175.92 7.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.866 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -120.56 124.26 44.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.7 tt -123.8 152.04 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.6 m -136.79 131.05 32.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -101.58 138.96 37.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.44 HD13 ' HG2' ' A' ' 76' ' ' GLU . 32.9 mm -97.87 146.07 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -158.07 113.38 2.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.468 ' HG3' HG23 ' A' ' 74' ' ' THR . 8.2 mtmt -112.84 154.95 25.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.611 ' O ' HG13 ' A' ' 72' ' ' VAL . 7.2 p -141.92 140.17 30.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.668 ' HD3' HD11 ' A' ' 11' ' ' ILE . 3.3 tptm -80.36 118.1 21.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -118.69 132.44 56.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -110.71 35.39 3.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -166.21 158.54 14.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.1 mt -116.78 -29.6 6.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.48 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 2.8 mp -59.46 -32.57 70.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -109.41 160.59 16.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.564 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 35.4 ttmt -140.22 126.95 12.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.579 0.704 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 128.35 15.9 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.708 2.272 . . . . 0.0 112.289 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.4 m -92.29 130.16 38.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.546 HD11 ' SG ' ' A' ' 92' ' ' CYS . 6.2 tt -105.83 150.84 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.142 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.571 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 2.6 tppp? -144.79 116.62 8.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -88.88 141.82 28.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.571 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 66.0 m-85 -135.93 176.5 8.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.498 ' HG3' ' N ' ' A' ' 47' ' ' GLY . 13.2 tttm -166.09 152.56 9.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.498 ' N ' ' HG3' ' A' ' 46' ' ' LYS . . . 68.96 -130.51 24.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.479 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.434 ' HG2' ' NE1' ' A' ' 49' ' ' TRP . 1.2 ttmp? -104.36 -55.26 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.741 0.305 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.434 ' NE1' ' HG2' ' A' ' 48' ' ' LYS . 11.2 m95 -132.87 39.13 3.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.568 ' CE ' HD23 ' A' ' 52' ' ' LEU . 6.4 ttp -100.41 124.5 46.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.855 ' OD1' ' HB3' ' A' ' 53' ' ' ALA . 7.2 t70 -103.39 101.14 11.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.568 HD23 ' CE ' ' A' ' 50' ' ' MET . 65.0 mt -59.53 -28.99 67.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.855 ' HB3' ' OD1' ' A' ' 51' ' ' ASP . . . -49.18 -57.31 6.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.81 -22.97 63.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -71.47 -32.86 68.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.677 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -54.85 117.19 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.49 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . -151.81 -73.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.452 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -120.26 -54.65 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.479 ' O ' ' N ' ' A' ' 80' ' ' ILE . 97.6 m-70 -69.98 -31.21 68.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.828 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.677 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.8 tp -117.46 144.23 45.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 44.9 mm-40 -149.01 122.51 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.632 HD23 ' HG2' ' A' ' 77' ' ' MET . 13.3 mt -91.49 163.19 14.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.14 149.95 47.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.402 ' C ' ' OE2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -148.77 132.43 16.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 74' ' ' THR . 5.7 t -148.16 158.67 44.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.45 ' HB2' ' CD2' ' A' ' 73' ' ' TYR . 31.8 t80 -129.45 152.82 48.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 71' ' ' ARG . 39.9 mt-10 -130.1 92.72 3.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.462 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -62.37 -41.22 98.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -51.64 -24.53 5.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.4 t -124.23 -5.84 7.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 67' ' ' GLU . 13.9 mtt180 55.89 50.74 13.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.611 HG13 ' O ' ' A' ' 31' ' ' VAL . 72.4 t -142.14 128.97 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.564 ' CE2' ' HG3' ' A' ' 39' ' ' LYS . 65.1 m-85 -90.24 135.56 33.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.468 HG23 ' HG3' ' A' ' 30' ' ' LYS . 28.0 m -122.68 115.59 22.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.405 ' HB2' HD13 ' A' ' 42' ' ' ILE . 29.6 m-85 -113.53 128.58 56.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.44 ' HG2' HD13 ' A' ' 28' ' ' ILE . 4.3 mt-10 -115.74 167.38 10.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.632 ' HG2' HD23 ' A' ' 62' ' ' LEU . 10.4 tmm? -138.3 105.26 5.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -88.3 138.3 31.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.567 HG12 HD12 ' A' ' 60' ' ' LEU . 2.6 mt -127.07 104.1 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.625 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.1 mp -92.28 133.81 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 43.1 mttt 62.0 47.23 5.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.17 109.87 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.068 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -87.65 169.65 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -17.85 35.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -78.04 -16.7 57.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.51 ' O ' HD12 ' A' ' 107' ' ' LEU . 3.9 m-85 -79.63 -4.73 52.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.03 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -93.62 111.09 22.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -178.92 -126.08 0.98 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.51 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -121.62 126.58 49.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.358 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.578 ' HB2' ' CE2' ' A' ' 105' ' ' PHE . 12.3 m-85 -111.11 136.47 50.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -129.1 127.48 41.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.546 ' SG ' HD11 ' A' ' 42' ' ' ILE . 8.4 t -111.95 147.5 35.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -141.42 125.57 17.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.581 HG11 ' CE1' ' A' ' 10' ' ' PHE . 3.8 p -130.64 107.42 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.515 HG23 ' HB2' ' A' ' 100' ' ' PHE . 1.3 m -97.7 107.37 19.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -101.48 148.69 24.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -46.85 -41.22 15.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.929 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -69.94 -70.75 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -138.33 166.11 25.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.515 ' HB2' HG23 ' A' ' 95' ' ' THR . 6.3 t80 -117.91 128.09 54.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -123.91 153.77 40.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.6 p -138.88 158.36 44.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 28.4 p -164.02 143.44 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 t -125.08 160.36 29.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 90' ' ' TYR . 22.9 p90 -153.68 169.95 22.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.841 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -116.86 130.15 56.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.516 HD13 ' C ' ' A' ' 107' ' ' LEU . 3.4 tm? -109.54 127.26 54.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.631 ' CB ' HG23 ' A' ' 18' ' ' THR . 23.9 mt-10 -106.01 146.96 29.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 1.03 HG23 ' HB2' ' A' ' 87' ' ' ALA . 30.2 t -129.39 119.91 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.407 ' O ' HG23 ' A' ' 21' ' ' VAL . 20.8 m170 -103.11 143.75 32.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -64.5 125.57 25.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.5 t -76.25 82.78 3.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 14.4 t -117.34 153.93 32.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.17 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -70.98 171.55 45.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.518 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 14.5 t -100.06 136.38 40.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 0.0 111.117 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 22.8 p -81.88 152.87 69.54 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.568 0.699 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 164.86 32.96 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.701 2.267 . . . . 0.0 112.319 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -151.4 173.02 15.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 46.2 mt -111.66 139.22 36.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.156 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -85.71 120.9 27.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.825 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 48.6 m -49.84 161.84 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -95.86 145.47 17.8 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 145.54 57.45 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.625 2.216 . . . . 0.0 112.385 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 35.7 m -120.06 95.17 4.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.824 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.0 p -70.09 151.56 45.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.828 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m -144.47 122.35 11.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.2 m -106.28 -46.89 3.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.39 -167.0 6.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.447 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 m -110.89 101.3 9.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 0.0 110.823 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -103.42 -47.25 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.49 106.46 0.25 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.408 HG23 ' O ' ' A' ' 8' ' ' ILE . 8.2 tp -94.28 128.76 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.351 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.428 HD22 ' O ' ' A' ' 99' ' ' LYS . 1.2 tp -129.31 160.95 31.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.848 ' HD1' HG22 ' A' ' 31' ' ' VAL . 0.5 OUTLIER 72.52 50.83 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 tp -42.04 -36.29 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -104.55 152.62 22.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -134.57 124.13 16.77 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.576 0.703 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 102.94 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.668 2.245 . . . . 0.0 112.327 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -82.91 108.0 15.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.77 170.21 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.467 ' O ' HD22 ' A' ' 107' ' ' LEU . . . -157.56 -154.91 7.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.735 HG23 ' CB ' ' A' ' 108' ' ' GLU . 3.8 m -136.39 117.15 14.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.823 0.344 . . . . 0.0 111.182 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 p -112.58 140.21 33.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' HB3' ' CD ' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -73.74 153.59 39.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.1 t -61.14 123.0 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.78 -17.17 59.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 23' ' ' GLU . 2.5 mp0 -78.16 -177.08 4.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.12 140.16 51.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.4 tt -131.89 156.78 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 m -139.66 124.86 18.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -100.79 142.62 32.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.479 HD13 ' HG2' ' A' ' 76' ' ' GLU . 31.0 mm -99.55 126.99 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.13 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.93 111.11 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 ptpp? -132.18 139.92 48.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.911 HG21 HG11 ' A' ' 94' ' ' VAL . 25.5 t -109.48 148.92 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -76.1 123.57 26.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -124.7 159.82 29.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -125.4 -44.78 1.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.06 170.83 10.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.3 mt -110.14 -35.61 6.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.428 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.8 mm? -59.53 -38.19 80.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.7 mmt-85 -90.19 125.89 35.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.407 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 4.3 ttpm? -118.3 110.94 38.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.566 0.698 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 39' ' ' LYS . 53.9 Cg_endo -69.73 108.81 2.16 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.731 2.287 . . . . 0.0 112.341 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.3 m -85.2 143.7 28.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.0 tt -113.61 132.98 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.069 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.597 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 1.5 tppp? -116.62 124.82 50.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.502 ' CE3' ' SD ' ' A' ' 77' ' ' MET . 27.9 m95 -95.42 122.83 38.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.597 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 64.0 m-85 -119.44 162.53 18.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.532 ' CB ' HD21 ' A' ' 52' ' ' LEU . 16.8 tttm -149.28 152.01 35.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.475 ' N ' ' HG3' ' A' ' 46' ' ' LYS . . . 71.24 -132.41 21.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.5 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.5 tttt -104.3 -44.81 4.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.706 0.289 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -127.05 -29.28 2.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.3 ttp -42.28 132.1 3.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.934 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.595 ' OD1' ' CE1' ' A' ' 45' ' ' PHE . 29.6 t0 -117.33 105.47 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.532 HD21 ' CB ' ' A' ' 46' ' ' LYS . 33.2 mt -48.95 -42.92 39.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -42.03 -40.49 2.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.5 t -75.89 -32.76 59.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 52' ' ' LEU . 74.0 mmtt -69.45 -33.13 72.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.678 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -54.15 108.19 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -154.06 -54.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.46 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -133.04 -60.98 0.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.783 0.325 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -67.63 -29.29 68.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.678 HD23 ' CA ' ' A' ' 56' ' ' ALA . 3.8 tp -119.75 144.69 47.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.414 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 36.0 mm-40 -148.92 125.02 10.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.3 mt -91.67 165.2 13.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.17 145.79 41.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -152.44 127.67 9.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 74' ' ' THR . 11.1 t -139.85 167.16 22.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.56 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 73.9 t80 -134.23 144.14 48.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -128.68 93.0 3.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.422 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -51.0 -35.32 33.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.912 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -39.31 -59.78 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 60.6 p -102.96 -6.57 22.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 65.64 47.4 2.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.629 HG13 ' O ' ' A' ' 31' ' ' VAL . 94.9 t -134.21 132.63 55.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.56 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 26.4 m-85 -89.49 121.62 31.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.949 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.538 ' O ' HG22 ' A' ' 65' ' ' THR . 41.6 m -99.64 106.55 18.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.174 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.505 ' CZ ' ' HB3' ' A' ' 73' ' ' TYR . 6.4 m-85 -103.73 147.79 26.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.479 ' HG2' HD13 ' A' ' 28' ' ' ILE . 24.5 mt-10 -140.27 169.29 17.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.502 ' SD ' ' CE3' ' A' ' 44' ' ' TRP . 37.9 ttp -134.81 101.79 5.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -90.01 112.12 23.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.494 HG12 HD12 ' A' ' 60' ' ' LEU . 2.3 mt -104.48 115.19 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.9 mp -100.41 132.97 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.1 mttm 64.28 46.79 3.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.57 101.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.454 ' HB2' ' ND2' ' A' ' 85' ' ' ASN . 36.3 mttt -81.78 167.82 18.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.21 -23.46 47.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.454 ' ND2' ' HB2' ' A' ' 83' ' ' LYS . 0.5 OUTLIER -72.36 -21.2 61.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -73.97 -15.89 61.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.979 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -81.13 117.25 21.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 169.31 -140.54 6.18 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -101.82 143.91 31.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.586 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 24.0 m-85 -128.74 144.08 51.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -127.74 150.45 49.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 10.5 m -129.69 132.85 46.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -128.75 121.4 28.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.911 HG11 HG21 ' A' ' 31' ' ' VAL . 91.4 t -129.74 131.95 66.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -131.13 99.42 4.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.536 ' CZ ' ' HD2' ' A' ' 97' ' ' LYS . 8.1 t80 -78.55 -76.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.536 ' HD2' ' CZ ' ' A' ' 96' ' ' TYR . 32.5 mtpt -135.04 -76.07 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.14 11.0 10.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.852 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.428 ' O ' HD22 ' A' ' 9' ' ' LEU . 22.4 mttm -130.6 108.65 10.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.487 ' CD2' ' O ' ' A' ' 94' ' ' VAL . 2.8 t80 -115.83 136.63 52.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.89 144.5 51.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 68.3 p -131.95 126.78 34.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 25.1 t -133.61 134.84 43.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 78.1 p -115.45 135.9 53.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.586 ' CZ ' ' HB3' ' A' ' 90' ' ' TYR . 3.6 p90 -119.37 -174.82 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -126.6 128.53 46.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.467 HD22 ' O ' ' A' ' 17' ' ' GLY . 1.8 tm? -115.54 124.01 49.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.735 ' CB ' HG23 ' A' ' 18' ' ' THR . 20.4 mt-10 -105.17 148.82 26.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.979 HG23 ' HB2' ' A' ' 87' ' ' ALA . 39.1 t -131.18 116.9 34.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -102.86 145.1 30.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -61.99 128.37 35.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.6 t -81.68 148.43 29.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 84.9 m -107.58 89.3 2.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -57.34 152.81 24.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.431 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.0 t -139.66 147.54 41.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 0.0 111.154 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 57.8 p -74.54 143.55 79.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.541 0.686 . . . . 0.0 111.145 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 173.98 10.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.642 2.228 . . . . 0.0 112.334 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.451 ' HB3' ' CB ' ' A' ' 121' ' ' SER . 8.2 t-20 -156.21 179.21 9.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 120' ' ' ASP . 76.7 mt -69.85 114.17 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 119' ' ' ILE . 92.8 m-20 33.73 50.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.451 ' CB ' ' HB3' ' A' ' 118' ' ' ASN . 7.3 t -107.44 90.52 3.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 73.81 159.48 6.01 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.461 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 138.55 37.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.308 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.7 t -112.14 41.25 2.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 25.7 m -148.21 129.95 15.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.449 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.0 p -120.87 -61.36 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -98.54 166.13 11.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.72 81.34 0.75 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.7 m -144.52 161.62 38.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 m -94.53 94.82 8.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.59 96.3 0.12 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.454 ' N ' HD12 ' A' ' 8' ' ' ILE . 4.7 mp -101.39 114.55 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 0.0 111.125 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.921 HD12 ' HB2' ' A' ' 99' ' ' LYS . 11.3 mt -90.54 -37.91 13.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.524 ' CD2' ' O ' ' A' ' 12' ' ' GLU . 1.9 t80 -51.76 106.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.2 mm -57.06 -74.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.524 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -98.79 160.15 14.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -127.9 142.2 43.58 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.561 0.696 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 110.81 2.64 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -90.4 110.93 22.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.93 169.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.605 ' O ' HD22 ' A' ' 107' ' ' LEU . . . -158.71 -157.92 8.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.601 HG23 ' CB ' ' A' ' 108' ' ' GLU . 8.3 m -135.58 112.76 10.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 111.144 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.9 p -108.7 140.43 27.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.6 153.93 39.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.44 117.73 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.135 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.8 -14.2 63.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.524 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -76.58 -175.41 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -132.5 119.92 21.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.5 tt -117.76 154.0 19.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 m -137.66 137.36 38.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -106.95 152.08 24.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.0 mm -115.95 140.46 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.494 ' HB1' ' HZ ' ' A' ' 10' ' ' PHE . . . -156.77 113.46 3.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -104.82 164.47 11.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.478 ' CG1' ' HB2' ' A' ' 73' ' ' TYR . 14.7 p -151.27 135.98 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.154 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -77.05 125.88 30.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -123.16 164.51 18.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.428 ' O ' ' NH1' ' A' ' 71' ' ' ARG . 47.4 mt-10 -129.56 -43.24 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -93.42 150.65 20.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.0 mt -97.77 -40.19 8.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.498 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.1 mm? -53.38 -44.26 68.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -92.0 148.61 22.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -140.17 126.01 11.72 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.618 0.723 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 130.91 20.24 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.694 2.263 . . . . 0.0 112.346 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.1 m -96.16 141.64 29.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.775 HD11 ' SG ' ' A' ' 92' ' ' CYS . 6.8 tt -111.66 134.82 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.599 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 2.4 tppp? -125.68 116.32 21.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.47 ' HB3' HD12 ' A' ' 52' ' ' LEU . 46.8 m95 -89.93 120.11 30.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.599 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 61.6 m-85 -111.31 151.53 28.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.934 ' HB2' HD21 ' A' ' 52' ' ' LEU . 22.5 tptm -129.3 157.55 41.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.409 ' N ' ' HG3' ' A' ' 46' ' ' LYS . . . 58.88 -127.26 44.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.537 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -99.07 -57.52 2.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -131.31 34.35 4.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.625 ' CE ' HD23 ' A' ' 52' ' ' LEU . 1.2 tmm? -87.86 132.39 34.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.521 ' OD1' ' HB3' ' A' ' 53' ' ' ALA . 4.7 t0 -107.07 107.06 17.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.934 HD21 ' HB2' ' A' ' 46' ' ' LYS . 28.6 mt -69.16 -27.7 65.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.521 ' HB3' ' OD1' ' A' ' 51' ' ' ASP . . . -47.67 -56.46 7.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.9 p -69.33 -24.32 63.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -74.23 -32.65 63.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.68 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -56.41 113.82 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.486 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . -153.06 -66.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.507 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -124.22 -60.28 1.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.33 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.4 ' O ' ' O ' ' A' ' 80' ' ' ILE . 96.7 m-70 -66.04 -20.47 66.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.68 HD23 ' CA ' ' A' ' 56' ' ' ALA . 3.7 tp -131.8 145.52 51.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 48.7 mm-40 -149.76 125.15 10.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.6 mt -91.37 164.49 13.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -139.5 145.88 39.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -152.37 128.39 10.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.472 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 14.0 t -138.46 167.26 22.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.613 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 43.0 t80 -135.0 147.64 49.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -128.07 97.32 4.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -22.86 66.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -53.59 -44.68 69.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.7 m -119.54 2.4 11.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.531 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 13.6 mtm180 61.72 34.18 17.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 69.5 t -119.48 132.26 69.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.613 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 67.6 m-85 -91.69 155.54 18.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.472 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 14.7 m -137.06 114.5 10.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -109.9 148.12 32.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -141.66 166.0 25.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 49.6 ttp -135.02 101.4 4.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -87.39 110.27 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.497 HG12 HD12 ' A' ' 60' ' ' LEU . 2.4 mt -103.19 112.21 35.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.492 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.9 mp -96.88 146.46 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.9 mttm 48.07 48.79 18.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.51 110.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.071 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -88.81 167.56 13.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.7 -20.21 20.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.901 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -76.02 -19.84 58.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -75.88 -14.16 60.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.979 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -82.9 114.23 21.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -179.12 -142.84 5.1 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -109.97 117.75 34.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.357 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . 20.3 m-85 -98.16 156.91 16.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -142.95 121.21 12.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.775 ' SG ' HD11 ' A' ' 42' ' ' ILE . 1.9 t -101.87 133.52 46.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -134.45 118.08 16.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 99.6 t -126.57 104.21 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.947 HG23 ' HB2' ' A' ' 100' ' ' PHE . 18.1 m -99.05 121.6 41.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.169 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 97' ' ' LYS . 10.6 t80 -115.63 138.9 50.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 96' ' ' TYR . 8.1 mmmt -34.22 -47.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.94 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -66.55 -71.5 0.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.921 ' HB2' HD12 ' A' ' 9' ' ' LEU . 24.3 mmtp -133.49 161.93 33.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.947 ' HB2' HG23 ' A' ' 95' ' ' THR . 1.0 OUTLIER -120.81 126.79 50.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -120.83 157.17 30.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 80.0 p -146.27 152.2 38.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 20.6 p -162.99 134.72 5.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 94.6 p -112.24 157.87 20.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 90' ' ' TYR . 10.6 p90 -143.15 -176.6 4.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -126.17 137.18 53.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.605 HD22 ' O ' ' A' ' 17' ' ' GLY . 2.6 tm? -122.25 130.25 53.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.601 ' CB ' HG23 ' A' ' 18' ' ' THR . 4.1 mp0 -110.54 149.78 29.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.979 HG23 ' HB2' ' A' ' 87' ' ' ALA . 38.9 t -131.13 117.56 37.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.101 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -102.98 143.29 32.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -62.59 129.11 39.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.9 t -78.79 -60.22 2.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 51.5 p -50.43 157.53 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.141 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 102.08 -169.88 20.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 41.8 p -93.39 142.65 27.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.826 0.346 . . . . 0.0 111.14 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 60.2 p -112.71 141.06 24.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.592 0.71 . . . . 0.0 111.123 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 170.32 16.8 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.332 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -152.24 160.29 43.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 50.9 mt -121.89 141.39 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -79.76 132.23 36.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 37.4 m -154.07 153.98 32.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -126.65 134.22 8.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.499 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 168.97 20.14 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.26 . . . . 0.0 112.306 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.6 p -138.46 130.88 28.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.5 m -64.3 144.2 57.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 m -146.01 164.93 30.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 0.0 110.843 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -112.62 98.74 7.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.95 115.8 0.46 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 p 41.35 33.68 0.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.911 0.386 . . . . 0.0 110.851 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.1 t -95.51 107.56 19.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.78 138.31 2.49 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.512 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.559 HD12 ' C ' ' A' ' 8' ' ' ILE . 2.4 pp -122.2 -14.69 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.837 0.351 . . . . 0.0 111.116 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 10' ' ' PHE . 24.4 mt -64.88 -175.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 9' ' ' LEU . 1.2 t80 36.01 53.87 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 12' ' ' GLU . 6.9 tt -47.9 -39.94 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.155 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.425 ' N ' HG23 ' A' ' 11' ' ' ILE . 5.0 tp10 -106.63 135.58 47.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -122.4 127.27 25.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.577 0.703 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 104.27 1.29 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.704 2.269 . . . . 0.0 112.377 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -80.68 43.94 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 42.96 -166.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.91 -160.58 22.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.508 HG23 ' HB3' ' A' ' 108' ' ' GLU . 5.1 m -139.12 111.87 7.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.804 0.335 . . . . 0.0 111.126 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.8 p -114.05 140.86 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.43 ' HB3' ' CD ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -74.11 153.34 39.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.34 117.49 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.52 -3.44 63.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.43 ' CD ' ' HB3' ' A' ' 20' ' ' LYS . 52.8 mt-10 -89.1 -179.32 5.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.832 0.349 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -124.76 124.63 42.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.7 tt -123.18 151.73 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 m -139.22 130.21 26.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -98.76 154.18 18.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.485 ' CG2' ' HE2' ' A' ' 30' ' ' LYS . 41.6 mm -114.94 137.39 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.44 ' C ' ' HD3' ' A' ' 30' ' ' LYS . . . -149.0 131.93 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.722 ' HD2' HG23 ' A' ' 74' ' ' THR . 0.0 OUTLIER -116.52 160.11 21.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.551 HG21 ' HE2' ' A' ' 75' ' ' PHE . 13.8 t -143.41 126.8 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -75.78 113.97 13.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -118.77 158.73 25.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -117.96 -39.76 3.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -98.02 123.7 42.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.1 mt -62.04 -42.79 99.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.2 mt -57.89 -55.28 36.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -63.65 133.73 54.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.432 ' NZ ' ' OE2' ' A' ' 64' ' ' GLU . 9.6 ttpp -131.58 116.34 16.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.548 0.689 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.429 ' HD3' ' CE1' ' A' ' 96' ' ' TYR . 53.7 Cg_endo -69.7 134.11 27.3 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.6 m -96.86 138.15 34.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.3 tt -112.91 133.83 57.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.067 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.59 ' HG2' ' CE2' ' A' ' 45' ' ' PHE . 2.6 tppp? -122.12 118.87 29.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.423 ' HB3' HD12 ' A' ' 52' ' ' LEU . 31.5 m95 -87.98 130.86 34.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.59 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 56.2 m-85 -126.32 164.32 21.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.662 ' HB2' HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -143.64 147.57 34.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.456 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 62.93 -130.76 42.57 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.497 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.532 ' HD3' ' CE2' ' A' ' 49' ' ' TRP . 26.2 tttt -104.33 -49.09 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.755 0.312 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.532 ' CE2' ' HD3' ' A' ' 48' ' ' LYS . 4.9 m95 -116.53 -35.28 4.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.976 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.3 ttp -42.32 120.63 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.55 ' OD2' ' HB3' ' A' ' 53' ' ' ALA . 25.1 t70 -111.35 122.0 46.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.662 HD21 ' HB2' ' A' ' 46' ' ' LYS . 22.6 mt -69.13 -39.61 78.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.55 ' HB3' ' OD2' ' A' ' 51' ' ' ASP . . . -41.65 -37.8 1.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.051 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.5 t -82.37 -27.68 31.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 52' ' ' LEU . 31.7 mmtm -69.23 -26.96 65.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.713 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -59.96 110.46 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.89 -66.29 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -125.92 -50.81 1.58 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 80' ' ' ILE . 95.1 m-70 -80.04 -14.54 58.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.713 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.3 tp -136.57 144.18 44.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.4 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 34.9 mm-40 -148.33 124.37 10.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.942 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.7 mt -89.8 165.69 14.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -140.92 150.51 43.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.432 ' OE2' ' NZ ' ' A' ' 39' ' ' LYS . 7.7 tt0 -152.42 131.64 12.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.474 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 14.5 t -141.9 161.68 37.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.708 ' CD1' ' CZ ' ' A' ' 73' ' ' TYR . 53.7 t80 -123.25 146.34 47.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -130.12 94.9 3.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.474 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -62.77 -30.51 71.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.855 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -42.8 -47.28 5.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 t -119.37 2.99 11.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.498 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 13.0 mtt85 62.71 33.45 15.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 31' ' ' VAL . 53.7 t -116.59 134.02 61.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.708 ' CZ ' ' CD1' ' A' ' 66' ' ' PHE . 58.2 m-85 -94.2 134.75 36.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.722 HG23 ' HD2' ' A' ' 30' ' ' LYS . 5.0 m -114.62 123.24 48.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.551 ' HE2' HG21 ' A' ' 31' ' ' VAL . 8.2 m-85 -120.82 125.08 46.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.449 ' HG2' HD13 ' A' ' 28' ' ' ILE . 5.1 mt-10 -113.12 167.42 10.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 42.1 ttp -136.2 103.11 5.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.848 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.03 127.67 34.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.512 HG12 HD12 ' A' ' 60' ' ' LEU . 2.1 mt -119.28 105.58 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.652 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.1 mp -91.05 139.7 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.5 mttp 53.44 46.44 26.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.64 117.11 2.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -90.83 161.28 15.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.66 -11.63 3.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -86.87 -17.41 33.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -74.24 -17.92 60.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.119 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -81.94 108.66 15.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -170.56 -139.64 2.8 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -104.13 114.26 28.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 110.85 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.58 ' CB ' ' CE2' ' A' ' 105' ' ' PHE . 3.0 m-85 -102.92 136.71 42.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -128.65 125.88 39.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.446 ' C ' ' OE1' ' A' ' 93' ' ' GLU . 27.7 p -106.63 149.75 26.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.446 ' OE1' ' C ' ' A' ' 92' ' ' CYS . 33.7 mp0 -144.73 123.62 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.3 t -123.16 104.03 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.42 127.15 38.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.53 ' CD2' ' OD1' ' A' ' 98' ' ' ASP . 3.7 t80 -117.97 -178.13 3.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 97' ' ' LYS . 4.2 mmmt -71.74 -58.27 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.53 ' OD1' ' CD2' ' A' ' 96' ' ' TYR . 0.2 OUTLIER -62.39 -72.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.862 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.461 ' CD ' ' HB2' ' A' ' 98' ' ' ASP . 0.3 OUTLIER -132.13 169.13 16.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.443 ' CZ ' ' HB3' ' A' ' 102' ' ' SER . 0.1 OUTLIER -119.63 150.71 39.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -142.5 151.15 41.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 84.1 p -147.46 171.65 15.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 2.4 t -154.96 171.13 20.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 94.8 p -138.91 147.67 42.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.58 ' CE2' ' CB ' ' A' ' 90' ' ' TYR . 1.3 p90 -153.85 -176.97 6.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -135.41 140.4 44.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.715 HD23 ' H ' ' A' ' 108' ' ' GLU . 1.2 tt -112.36 142.12 45.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.715 ' H ' HD23 ' A' ' 107' ' ' LEU . 26.1 mt-10 -119.77 145.87 46.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 1.119 HG23 ' HB2' ' A' ' 87' ' ' ALA . 60.3 t -131.96 121.65 47.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -103.09 144.66 31.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -65.05 129.22 38.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 38.1 t -75.35 56.98 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 25.1 p -108.57 151.25 26.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.169 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -154.12 33.22 0.72 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.542 ' O ' HG23 ' A' ' 115' ' ' THR . 8.8 t -92.64 115.84 28.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.887 0.375 . . . . 0.0 111.178 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 20.5 p -150.89 143.79 16.62 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.592 0.71 . . . . 0.0 111.133 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 169.5 18.82 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.724 2.283 . . . . 0.0 112.327 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -104.05 149.85 24.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 64.0 mt -144.37 135.51 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -117.98 170.69 8.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 34.7 m -76.88 -20.18 56.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 68.23 69.27 1.41 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 102.71 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.368 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 44.5 m -72.49 -57.23 4.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 79.2 p -59.31 120.8 9.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.7 p -167.37 114.52 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 110.856 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -109.12 120.91 43.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.27 139.95 15.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 m -106.67 -50.17 3.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 t -99.48 150.32 22.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.836 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.3 -161.69 1.07 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.47 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.4 pt -130.83 138.12 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.144 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.458 HD23 ' CE ' ' A' ' 99' ' ' LYS . 1.5 tm? -96.7 -53.03 3.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.745 ' HZ ' ' HB1' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -85.86 88.2 7.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.451 HD13 ' HB2' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -55.75 -52.36 49.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.567 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 9.0 tm-20 -93.91 147.28 23.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -133.73 120.76 15.67 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.628 0.727 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 112.4 3.08 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.686 2.257 . . . . 0.0 112.316 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 16' ' ' GLY . 50.2 mm-40 -86.25 35.02 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 15' ' ' GLN . . . 34.93 -153.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.459 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.523 ' O ' HD22 ' A' ' 107' ' ' LEU . . . 171.27 -155.44 24.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.691 HG23 ' CB ' ' A' ' 108' ' ' GLU . 6.5 m -137.96 114.49 10.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.82 0.343 . . . . 0.0 111.149 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.5 p -111.41 142.37 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.51 154.49 38.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 110' ' ' HIS . 52.7 t -61.74 117.22 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.58 -11.03 63.03 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.49 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -79.2 -176.49 5.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -131.44 122.1 25.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.5 tt -124.88 152.62 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.2 m -135.6 132.79 37.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.522 ' CE1' ' HE3' ' A' ' 77' ' ' MET . 25.8 m-85 -99.91 152.47 20.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.5 mm -110.01 135.57 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.745 ' HB1' ' HZ ' ' A' ' 10' ' ' PHE . . . -154.45 112.66 3.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -113.1 159.99 18.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.411 HG11 ' CG ' ' A' ' 40' ' ' PRO . 4.9 p -139.75 144.83 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HB2' HD13 ' A' ' 11' ' ' ILE . 2.5 tptt -75.83 124.77 27.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -129.44 136.92 50.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.09 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -105.1 -42.56 5.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.22 160.99 14.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.507 HD22 ' CZ ' ' A' ' 66' ' ' PHE . 23.7 mt -101.37 -40.07 7.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.481 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.3 mm? -54.09 -40.77 67.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -86.75 144.73 26.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.506 ' HG2' ' CE2' ' A' ' 73' ' ' TYR . 14.9 mtmm -137.06 120.56 11.9 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.584 0.707 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.411 ' CG ' HG11 ' A' ' 31' ' ' VAL . 54.0 Cg_endo -69.75 120.83 7.55 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.673 2.248 . . . . 0.0 112.382 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.6 m -82.67 139.1 33.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.617 HD11 ' SG ' ' A' ' 92' ' ' CYS . 10.4 tt -121.97 123.09 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.469 ' HG2' ' CE1' ' A' ' 45' ' ' PHE . 4.3 tppt? -119.4 116.71 26.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.421 ' HB3' HD12 ' A' ' 52' ' ' LEU . 30.7 m95 -85.54 136.61 33.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.485 ' CE2' ' OD1' ' A' ' 51' ' ' ASP . 57.1 m-85 -130.86 162.66 29.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.647 ' HB2' HD21 ' A' ' 52' ' ' LEU . 9.6 tmtt? -144.87 147.91 33.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.452 ' N ' ' HD3' ' A' ' 46' ' ' LYS . . . 65.19 -136.71 37.5 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.523 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.462 ' HD2' ' NE1' ' A' ' 49' ' ' TRP . 8.1 tmtm? -100.97 -52.94 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.462 ' NE1' ' HD2' ' A' ' 48' ' ' LYS . 14.9 m95 -110.84 -35.13 6.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.953 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.9 ttp -43.08 118.92 1.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.485 ' OD1' ' CE2' ' A' ' 45' ' ' PHE . 21.1 t0 -110.28 111.62 23.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.647 HD21 ' HB2' ' A' ' 46' ' ' LYS . 40.3 mt -57.19 -43.7 82.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.457 ' CB ' ' HD2' ' A' ' 43' ' ' LYS . . . -41.88 -38.29 1.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.6 t -81.15 -32.35 33.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' LEU . 35.1 mmtt -65.61 -30.55 71.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.748 ' CA ' HD23 ' A' ' 60' ' ' LEU . . . -55.82 113.68 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.088 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.51 -60.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -128.99 -56.63 1.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.835 0.35 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 80' ' ' ILE . 97.8 m-70 -74.25 -20.56 60.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.748 HD23 ' CA ' ' A' ' 56' ' ' ALA . 4.4 tp -129.01 145.2 51.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.409 ' HG2' ' C ' ' A' ' 60' ' ' LEU . 12.8 mm-40 -148.2 124.21 10.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.9 mt -91.46 153.73 19.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -127.6 148.67 50.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -152.04 133.85 14.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.472 ' CG2' ' HB ' ' A' ' 74' ' ' THR . 11.7 t -147.31 165.97 28.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.172 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.6 ' CD1' ' CE1' ' A' ' 73' ' ' TYR . 41.1 t80 -128.72 147.06 50.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -129.91 90.95 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -23.72 52.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -46.03 -45.27 15.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 82.7 p -126.57 4.86 6.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 32.3 mtt-85 63.51 38.98 9.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 63.7 t -123.78 130.82 73.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.6 ' CE1' ' CD1' ' A' ' 66' ' ' PHE . 6.3 m-85 -89.59 152.1 21.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.472 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 50.1 m -127.98 105.81 8.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -104.08 129.67 51.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -123.51 167.28 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.522 ' HE3' ' CE1' ' A' ' 27' ' ' PHE . 50.9 ttp -135.03 97.88 3.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -84.32 113.04 20.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.502 HG12 HD12 ' A' ' 60' ' ' LEU . 2.4 mt -103.75 114.56 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.405 ' O ' ' O ' ' A' ' 59' ' ' HIS . 2.2 mp -99.53 140.29 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.6 mttt 54.43 47.73 22.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.3 108.98 0.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -89.27 169.01 11.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.85 -19.73 19.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -75.27 -17.86 60.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -80.79 -10.02 59.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.966 ' HB2' HG23 ' A' ' 109' ' ' VAL . . . -86.19 121.59 28.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 166.1 -140.44 6.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -105.76 133.47 50.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.857 0.36 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.583 ' CB ' ' CE2' ' A' ' 105' ' ' PHE . 8.9 m-85 -112.77 147.28 37.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 47.4 ttm-85 -139.86 123.88 17.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.617 ' SG ' HD11 ' A' ' 42' ' ' ILE . 1.8 t -104.01 146.48 28.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -131.89 122.17 25.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.457 ' O ' ' CD2' ' A' ' 100' ' ' PHE . 58.5 t -130.49 122.4 52.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 m -114.54 143.78 44.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.503 ' O ' ' C ' ' A' ' 97' ' ' LYS . 7.8 t80 -138.99 178.45 7.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.503 ' C ' ' O ' ' A' ' 96' ' ' TYR . 46.9 mttt -28.87 -74.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -132.88 26.26 4.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.458 ' CE ' HD23 ' A' ' 9' ' ' LEU . 18.1 mtpt -136.81 142.4 42.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.457 ' CD2' ' O ' ' A' ' 94' ' ' VAL . 7.3 t80 -145.3 150.52 36.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -156.21 143.57 19.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 91.3 p -136.44 124.62 23.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.834 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 46.1 t -107.93 136.54 47.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 62.2 p -111.12 129.24 55.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.583 ' CE2' ' CB ' ' A' ' 90' ' ' TYR . 1.5 p90 -131.41 167.29 19.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -119.2 122.94 43.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.523 HD22 ' O ' ' A' ' 17' ' ' GLY . 3.0 tm? -103.83 129.91 51.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.691 ' CB ' HG23 ' A' ' 18' ' ' THR . 28.5 mt-10 -107.92 147.22 31.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.966 HG23 ' HB2' ' A' ' 87' ' ' ALA . 38.7 t -128.44 117.4 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.404 ' O ' HG23 ' A' ' 21' ' ' VAL . 22.4 m170 -102.96 144.29 31.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -66.61 125.08 24.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.4 t -69.96 -54.71 12.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.829 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 36.4 p -67.31 160.51 27.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.167 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -56.77 151.33 25.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.529 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 46.0 p -138.92 168.46 19.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.893 0.378 . . . . 0.0 111.111 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 70.0 p -124.47 151.19 66.54 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.573 0.701 . . . . 0.0 111.151 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 137.48 35.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.235 . . . . 0.0 112.303 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -90.93 174.13 7.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 40.0 mt -89.35 114.91 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -98.96 141.13 32.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.9 m -72.93 177.06 5.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -127.65 165.47 20.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 175.74 7.7 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.691 2.261 . . . . 0.0 112.34 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 54.1 p -174.96 152.09 1.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 47.7 t -161.28 138.44 8.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 -179.977 . . . . . . . . 0 0 . 1 stop_ save_