data_2dly_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 2dly _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.744 0.306 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -50.14 -30.89 12.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.13 -32.81 59.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -53.15 131.55 51.03 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.637 0.732 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.493 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 53.7 Cg_endo -69.69 -47.12 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.388 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.498 ' CE3' HD12 ' A' ' 44' ' ' ILE . 22.0 p-90 -65.76 -12.56 54.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.955 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -90.2 128.73 36.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.493 ' CE1' ' O ' ' A' ' 17' ' ' PRO . 3.1 m-85 -131.22 56.37 1.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 20' ' ' PHE . . . 33.99 -123.25 0.41 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.507 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.6 106.94 12.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 111.07 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.9 pt -129.92 175.16 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -102.22 157.87 16.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.467 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 2.4 ptm180 -47.06 -34.56 5.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.467 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -62.79 -52.81 61.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -61.63 -43.23 99.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.04 -43.41 92.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 32' ' ' LEU . 9.9 mt-10 -57.95 -65.79 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -38.21 -33.88 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -73.27 -41.74 63.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' GLU . 95.2 mt -73.41 -50.52 21.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.67 -16.7 6.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -44.21 166.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 36' ' ' GLU . 34.7 t -81.96 -67.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.828 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' SER . 39.1 mt-10 -34.69 -38.81 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -80.67 140.5 35.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -130.55 176.61 8.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.8 m -39.6 113.46 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.13 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.99 -35.2 2.58 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.86 119.62 2.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.87 0.367 . . . . 0.0 111.083 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.542 ' CE2' ' CG1' ' A' ' 92' ' ' VAL . 22.8 p90 -124.35 158.64 32.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.412 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.2 pp -163.13 126.71 2.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.498 HD12 ' CE3' ' A' ' 18' ' ' TRP . 4.7 mp -99.29 137.77 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.459 ' N ' HG23 ' A' ' 44' ' ' ILE . 42.1 ptt85 -131.71 166.64 21.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.451 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 14.0 mt-10 -90.81 116.09 28.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' GLU . 38.5 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.41 ' HA ' ' NH1' ' A' ' 71' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.823 0.344 . . . . 0.0 110.885 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.451 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 90.1 m-85 -130.1 163.21 27.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.9 p -137.1 124.49 21.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.8 tp -93.14 104.12 16.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.7 m -96.27 109.78 22.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.471 HG23 ' CD2' ' A' ' 106' ' ' LEU . 39.5 t -112.93 147.77 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.3 tp -98.52 131.55 44.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.476 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 1.0 OUTLIER -135.07 81.07 1.87 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.789 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 74.3 40.64 0.41 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.13 -7.75 81.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.457 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 60' ' ' ASP . 9.8 p -96.25 141.37 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 111.168 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.8 t -106.15 109.57 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.515 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -91.03 109.95 21.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -84.03 111.11 18.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.515 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 94.5 m-85 -106.6 109.6 21.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.909 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -64.59 113.18 3.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.4 mt -87.46 101.17 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -83.43 159.74 21.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.565 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 6.5 mtm-85 -127.46 151.83 48.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.566 HD13 ' CE1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.565 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 31.0 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.91 0.386 . . . . 0.0 110.812 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.566 ' CE1' HD13 ' A' ' 72' ' ' LEU . 7.6 p90 -159.05 129.53 5.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 67' ' ' TYR . 12.4 tp -87.54 -21.8 25.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 81' ' ' ARG . 8.7 t -147.37 118.74 7.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 80' ' ' THR . 2.7 tpt85 -34.4 -39.46 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -45.42 -50.67 12.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.848 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.543 ' HE3' ' CE1' ' A' ' 94' ' ' TYR . 2.1 tppt? -123.47 150.95 43.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.962 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.455 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 74.8 t -141.26 144.71 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.144 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.479 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 34.2 m-85 -119.08 -175.05 2.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.0 m -107.72 -51.06 2.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.5 p -128.78 155.15 45.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.214 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.441 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 90.0 mt -45.83 -25.43 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -63.65 -65.76 0.64 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -61.07 -15.34 31.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.565 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.1 t80 -70.63 -40.39 73.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.542 ' CG1' ' CE2' ' A' ' 42' ' ' PHE . 87.9 t -92.45 -33.76 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -58.32 -25.93 62.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.543 ' CE1' ' HE3' ' A' ' 83' ' ' LYS . 67.2 t80 -82.85 -70.92 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.551 ' CE1' HD13 ' A' ' 102' ' ' LEU . 17.3 m-85 -42.33 -47.88 4.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 95' ' ' TYR . 3.8 p -33.98 -34.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 95' ' ' TYR . 29.3 p -74.81 -49.64 19.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' TYR . 7.9 t -143.88 158.48 43.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 101' ' ' GLY . 10.3 p -101.6 44.9 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.83 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -42.1 95.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.916 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 91.99 -45.73 2.67 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.521 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.551 HD13 ' CE1' ' A' ' 95' ' ' TYR . 2.9 mt -53.75 147.76 11.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.774 0.321 . . . . 0.0 110.897 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 83.0 m -58.92 -36.64 75.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.488 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 2.4 p -142.82 160.14 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.488 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 0.3 OUTLIER -90.5 133.36 35.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.471 ' CD2' HG23 ' A' ' 58' ' ' VAL . 26.7 mt -61.87 111.76 2.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -88.22 -69.27 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -138.32 152.38 71.3 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.554 0.692 . . . . 0.0 110.989 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 142.34 47.44 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.708 2.272 . . . . 0.0 112.357 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 12.3 t -54.0 165.69 0.45 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.1 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.88 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.534 HD22 ' CD2' ' A' ' 19' ' ' PHE . 1.8 tt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.751 0.31 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.451 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 4.7 pt20 -54.34 -30.35 51.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.451 ' N ' ' HG3' ' A' ' 14' ' ' GLN . . . -63.08 -33.89 76.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.408 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 77.5 mm-40 -52.35 132.71 43.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.662 0.744 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -46.14 1.3 Allowed 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.477 ' CE3' HD13 ' A' ' 44' ' ' ILE . 22.7 p-90 -63.69 -13.77 46.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.961 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.534 ' CD2' HD22 ' A' ' 13' ' ' LEU . 6.3 t80 -89.14 124.03 33.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -122.15 27.79 7.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.15 -117.37 10.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.537 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -120.67 100.53 7.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.858 0.361 . . . . 0.0 111.066 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.461 HD11 ' N ' ' A' ' 28' ' ' ALA . 17.4 pt -127.78 169.31 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.34 153.33 17.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -47.08 -29.85 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.59 -42.47 82.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.19 -38.78 75.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.461 ' N ' HD11 ' A' ' 23' ' ' ILE . . . -72.98 -46.0 54.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.093 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -58.59 -38.15 77.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -63.45 -41.79 98.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.42 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 12.2 mm-40 -69.9 -33.21 71.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.414 HD13 ' C ' ' A' ' 57' ' ' SER . 40.1 mt -74.34 -53.16 10.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 26.0 mt -59.81 -15.02 17.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -40.63 158.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.0 t -74.5 -65.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.822 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -38.86 -33.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 84.2 m-20 -81.95 145.98 30.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' THR . 17.8 mt-30 -133.42 170.77 14.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' GLN . 84.1 m -36.45 116.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.15 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.17 -37.15 2.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -42.3 121.07 1.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.792 0.33 . . . . 0.0 111.089 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.605 ' CE2' ' CG1' ' A' ' 92' ' ' VAL . 17.3 p90 -126.51 158.89 34.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.423 ' C ' ' CD1' ' A' ' 43' ' ' LEU . 1.3 pp -166.54 130.94 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.477 HD13 ' CE3' ' A' ' 18' ' ' TRP . 4.2 mp -101.36 140.11 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -135.97 154.01 51.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -76.03 134.45 40.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.757 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.1 t70 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.84 0.353 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -148.5 166.29 28.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.5 p -141.65 123.75 15.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.791 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.7 tp -93.79 110.13 21.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.968 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.414 ' C ' HD13 ' A' ' 32' ' ' LEU . 43.9 m -101.79 117.36 34.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.5 ' CG1' ' N ' ' A' ' 59' ' ' LEU . 21.2 t -119.04 157.84 20.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.164 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.5 ' N ' ' CG1' ' A' ' 58' ' ' VAL . 13.9 tp -106.49 132.61 52.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.479 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 1.7 t70 -134.95 86.53 2.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 69.08 33.75 3.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.499 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 97.6 -13.51 64.03 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.479 ' CG1' ' O ' ' A' ' 60' ' ' ASP . 9.8 p -90.48 151.16 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.371 . . . . 0.0 111.129 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.401 HG13 ' CE1' ' A' ' 66' ' ' HIS . 87.4 t -112.92 109.69 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.475 ' CE ' HG13 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -92.0 109.27 20.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.401 ' CE1' HG13 ' A' ' 64' ' ' VAL . 90.9 m-70 -83.93 113.26 20.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 65' ' ' LYS . 89.7 m-85 -106.57 114.3 28.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -65.08 120.54 12.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.8 mt -96.11 97.03 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.2 mtt-85 -84.36 151.99 24.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.557 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 35.7 mtp180 -117.85 144.99 44.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.553 HD13 ' CE2' ' A' ' 78' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.557 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 30.5 m-85 . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.861 0.363 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.553 ' CE2' HD13 ' A' ' 72' ' ' LEU . 2.4 p90 -156.54 137.28 13.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.451 HD23 ' CB ' ' A' ' 67' ' ' TYR . 8.6 tp -97.47 -12.96 22.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.466 ' O ' ' C ' ' A' ' 81' ' ' ARG . 9.1 t -166.61 125.56 1.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.467 ' HD3' ' CE1' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -33.41 -45.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 81' ' ' ARG . 53.3 mtp85 -35.87 -49.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.83 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.488 ' HE2' ' CD2' ' A' ' 94' ' ' TYR . 47.1 tptt -133.53 148.74 51.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.43 HG11 ' CD2' ' A' ' 72' ' ' LEU . 57.9 t -138.7 141.69 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 8.6 m-85 -120.43 176.25 5.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.1 m -104.55 -47.31 4.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.812 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 69.4 p -127.45 149.8 49.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.448 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 84.4 mt -43.06 -24.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -64.1 -63.44 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -62.78 -12.37 23.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.566 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 1.8 t80 -74.19 -40.28 62.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.605 ' CG1' ' CE2' ' A' ' 42' ' ' PHE . 96.0 t -92.65 -39.81 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.099 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -57.56 -12.85 3.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.488 ' CD2' ' HE2' ' A' ' 83' ' ' LYS . 53.1 t80 -95.02 -66.91 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.439 ' CE1' HD11 ' A' ' 102' ' ' LEU . 26.2 m-85 -51.24 -18.29 0.9 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.958 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.51 -8.12 17.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.204 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.402 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 11.1 p -105.56 -27.77 11.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.6 t -164.35 152.76 12.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 51.3 p -98.4 44.52 1.03 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -40.11 99.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.12 -39.28 3.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.439 HD11 ' CE1' ' A' ' 95' ' ' TYR . 2.7 mt -61.9 145.47 52.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.807 0.337 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 36.8 t -56.65 -38.27 71.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.498 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 2.3 p -141.66 160.78 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.498 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 25.9 ttpt -93.72 129.84 39.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.463 ' CD2' HG21 ' A' ' 58' ' ' VAL . 24.5 mt -56.59 107.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -82.33 -71.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -135.86 152.81 76.51 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.563 0.697 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 135.88 31.45 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.692 2.261 . . . . 0.0 112.355 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.4 t -47.91 144.02 3.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 14.1 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.556 HD22 ' CD2' ' A' ' 19' ' ' PHE . 2.0 tt . . . . . 0 C--O 1.229 0.024 0 CA-C-O 120.852 0.358 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 16.5 pt20 -54.58 -34.59 62.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.421 ' N ' ' HG3' ' A' ' 14' ' ' GLN . . . -60.98 -31.89 71.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.064 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.421 ' CG ' HD21 ' A' ' 13' ' ' LEU . 5.1 mm-40 -50.5 131.04 26.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.667 0.746 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -42.68 3.15 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.475 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 17.2 p-90 -69.85 -10.17 57.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CD2' HD22 ' A' ' 13' ' ' LEU . 8.4 t80 -92.66 115.24 27.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -111.01 28.38 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.73 -118.32 13.53 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.94 102.51 8.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.732 0.301 . . . . 0.0 111.013 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.2 pt -130.22 170.21 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.083 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -96.7 163.95 12.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -54.64 -34.18 61.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.02 -44.36 96.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -71.08 -38.68 72.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.84 -37.94 79.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -68.09 -60.76 2.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -45.16 -32.63 1.91 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -73.84 -39.1 64.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.4 HD12 ' CB ' ' A' ' 57' ' ' SER . 89.3 mt -73.34 -49.94 24.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.469 HD23 ' N ' ' A' ' 33' ' ' LEU . 4.2 mm? -55.35 -23.32 23.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.624 ' CD2' ' CD2' ' A' ' 111' ' ' LEU . 5.7 t80 -36.07 151.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 37' ' ' ASN . 7.5 t -67.02 -64.34 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.86 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -39.74 -28.78 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 35' ' ' SER . 88.8 m-20 -90.31 141.79 28.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 39' ' ' THR . 28.6 mt-30 -136.22 173.74 11.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 38' ' ' GLN . 85.5 m -35.01 111.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.19 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.98 -33.3 2.73 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.51 121.06 3.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 111.113 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.544 ' CE2' HG13 ' A' ' 92' ' ' VAL . 25.8 p90 -127.8 151.7 48.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.417 ' C ' ' CD1' ' A' ' 43' ' ' LEU . 1.3 pp -159.51 130.78 6.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.466 HD13 ' CE3' ' A' ' 18' ' ' TRP . 4.1 mp -102.66 140.25 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.5 ptt85 -134.19 169.5 17.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 47' ' ' SER . 14.9 mt-10 -93.8 119.57 32.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 46' ' ' GLU . 12.8 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.861 0.362 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -133.53 147.7 51.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 t -126.09 129.18 48.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 tp -95.78 115.88 28.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.4 ' CB ' HD12 ' A' ' 32' ' ' LEU . 5.2 m -106.34 114.53 28.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.471 HG21 ' CD2' ' A' ' 106' ' ' LEU . 28.0 t -117.5 147.87 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 29.4 tp -96.8 131.19 43.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.457 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 5.1 t70 -135.02 84.49 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 71.44 35.57 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.464 ' O ' ' CD1' ' A' ' 33' ' ' LEU . . . 94.84 -11.39 69.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.422 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.479 HG11 ' CE ' ' A' ' 65' ' ' LYS . 9.1 p -92.99 149.01 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 111.114 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.7 t -111.62 108.99 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -90.85 110.3 21.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -84.71 110.72 18.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 91.1 m-85 -106.49 122.31 46.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.25 134.87 48.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.831 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 63.1 mt -107.95 93.8 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.058 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.575 ' O ' ' CD2' ' A' ' 78' ' ' PHE . 97.9 mtt180 -85.95 133.66 33.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.591 ' CG ' ' CD2' ' A' ' 77' ' ' PHE . 1.0 OUTLIER -108.09 150.37 27.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.464 ' CD2' HG13 ' A' ' 84' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.591 ' CD2' ' CG ' ' A' ' 71' ' ' ARG . 41.4 m-85 . . . . . 0 C--O 1.233 0.226 0 CA-C-O 120.809 0.337 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.575 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 2.9 p90 -173.25 129.27 0.46 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.966 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.451 HD23 ' CB ' ' A' ' 67' ' ' TYR . 11.5 tp -89.19 -21.47 23.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 81' ' ' ARG . 7.9 t -152.37 126.15 8.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 80' ' ' THR . 16.2 mmm-85 -36.94 -38.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -45.16 -50.17 11.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.449 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 50.2 tptt -124.38 149.87 46.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.464 HG13 ' CD2' ' A' ' 72' ' ' LEU . 57.4 t -140.34 137.94 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.065 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.562 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 14.9 m-85 -116.45 -175.44 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.6 m -106.77 -45.71 4.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 67.5 p -134.8 165.59 24.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.475 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 96.4 mt -52.49 -25.88 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.975 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -63.57 -68.87 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -58.14 -16.89 15.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.562 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 1.6 t80 -68.68 -40.86 79.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.544 HG13 ' CE2' ' A' ' 42' ' ' PHE . 87.9 t -92.63 -41.53 12.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.47 ' ND2' ' C ' ' A' ' 93' ' ' ASN . 0.1 OUTLIER -54.01 -17.63 2.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.449 ' CE2' ' HE2' ' A' ' 83' ' ' LYS . 53.4 t80 -90.61 -66.97 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -52.01 -24.85 7.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.922 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.92 -11.79 2.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.413 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 2.0 p -101.1 -34.71 9.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.6 t -157.57 149.23 21.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.5 p -89.84 36.78 0.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 99' ' ' SER . 21.4 t70 -35.69 95.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 92.53 -40.18 2.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.463 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 99' ' ' SER . 2.7 mt -64.83 144.24 57.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.835 0.35 . . . . 0.0 110.859 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 2.3 t -54.33 -39.31 66.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.466 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 2.3 p -140.1 158.17 25.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.466 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 19.9 ttpt -90.76 137.39 32.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.471 ' CD2' HG21 ' A' ' 58' ' ' VAL . 16.1 mt -65.77 116.84 7.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -94.19 -65.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -137.85 151.58 70.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.655 0.741 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 141.77 45.84 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.306 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 5.7 t -53.05 136.01 36.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.624 ' CD2' ' CD2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.513 HD22 ' CD2' ' A' ' 19' ' ' PHE . 1.8 tt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.734 0.302 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -52.3 -33.64 43.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.94 -33.57 73.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.424 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 58.8 mm-40 -55.84 131.77 72.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.693 0.759 . . . . 0.0 110.818 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -43.42 2.67 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.679 2.253 . . . . 0.0 112.333 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.481 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 22.8 p-90 -65.63 -6.9 12.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.513 ' CD2' HD22 ' A' ' 13' ' ' LEU . 8.6 t80 -97.5 124.66 41.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -125.94 32.04 5.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 56.56 -133.08 51.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.22 101.41 10.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 111.046 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.3 pt -127.56 170.74 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -99.54 176.24 5.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -64.93 -31.05 72.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.72 -43.13 80.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -72.66 -37.04 68.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.51 -45.09 55.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -60.79 -38.92 86.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -65.25 -30.73 71.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.493 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 26.3 mm-40 -79.74 -34.38 40.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.951 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 91.7 mt -76.68 -51.59 11.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.5 mt -57.66 -17.78 16.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.568 ' CD2' HD23 ' A' ' 111' ' ' LEU . 6.4 t80 -39.77 144.48 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' GLU . 4.7 t -58.93 -67.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.853 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.426 ' HB2' ' CD2' ' A' ' 111' ' ' LEU . 36.1 mm-40 -35.8 -38.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 82.8 m-20 -76.67 143.61 39.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -132.24 171.5 13.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.4 m -37.25 115.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.67 -35.46 2.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.526 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -40.65 118.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.783 0.325 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.563 ' CE2' HG12 ' A' ' 92' ' ' VAL . 45.1 p90 -126.3 146.78 49.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 pp -153.07 131.07 11.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.427 HG21 ' N ' ' A' ' 45' ' ' ARG . 3.8 mp -103.43 139.64 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.427 ' N ' HG21 ' A' ' 44' ' ' ILE . 6.7 ptt85 -132.01 172.99 11.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.423 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 18.1 mt-10 -96.47 121.05 37.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 -179.834 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.85 0.357 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.423 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 78.5 m-85 -145.62 168.27 21.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 t -138.74 127.47 23.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.5 tp -98.26 114.83 27.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.823 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.6 m -107.91 117.23 33.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.78 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.422 HG23 ' CD2' ' A' ' 106' ' ' LEU . 25.4 t -119.71 144.56 27.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.419 HD11 ' CA ' ' A' ' 62' ' ' GLY . 41.2 tp -96.5 133.96 40.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.458 ' HB3' ' CG1' ' A' ' 63' ' ' VAL . 1.0 OUTLIER -135.1 79.88 1.81 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.789 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 73.51 31.54 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.419 ' CA ' HD11 ' A' ' 59' ' ' LEU . . . 101.44 -8.49 56.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.502 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.476 HG12 ' CE ' ' A' ' 65' ' ' LYS . 11.5 p -98.24 131.47 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 111.185 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 62.0 t -99.55 109.34 24.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.476 ' CE ' HG12 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -92.09 114.35 26.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -88.64 113.1 23.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.53 ' CE1' HD21 ' A' ' 102' ' ' LEU . 83.0 m-85 -106.54 117.76 34.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.5 ttm-85 -67.7 125.41 26.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.81 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.0 mt -100.57 97.78 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.417 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 16.5 mtt85 -83.42 151.84 25.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.56 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 9.6 mtp-105 -116.59 153.3 32.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.561 HD13 ' CE1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.56 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 46.3 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.862 0.363 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.561 ' CE1' HD13 ' A' ' 72' ' ' LEU . 7.3 p90 -153.41 132.73 12.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.7 tp -89.81 -18.72 25.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.0 t -155.54 131.27 9.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -44.45 -24.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -60.12 -44.09 95.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 84' ' ' VAL . 50.7 tptt -130.51 155.2 46.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.458 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 85.8 t -143.96 146.88 20.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.15 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.556 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 26.7 m-85 -125.08 177.42 6.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.3 m -104.54 -43.56 5.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 57.2 p -135.28 152.28 51.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.133 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.481 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 84.5 mt -43.16 -27.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.81 -64.26 1.01 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -61.66 -21.94 64.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.556 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 4.0 t80 -64.22 -40.06 95.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.563 HG12 ' CE2' ' A' ' 42' ' ' PHE . 85.0 t -92.59 -39.97 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.493 ' ND2' ' C ' ' A' ' 93' ' ' ASN . 0.1 OUTLIER -57.44 -12.2 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -93.72 -68.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.498 ' O ' ' N ' ' A' ' 98' ' ' THR . 30.3 m-85 -45.51 -42.01 10.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.899 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 95' ' ' TYR . 1.5 p -37.42 -33.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.147 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.2 p -79.37 -40.51 30.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 95' ' ' TYR . 13.7 t -151.7 154.06 35.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.4 p -73.49 -27.79 61.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 58.36 26.02 13.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.823 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 114.53 -20.25 15.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.453 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.53 HD21 ' CE1' ' A' ' 67' ' ' TYR . 2.5 mt -61.14 135.25 57.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.783 0.325 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 102' ' ' LEU . 86.7 m -33.39 -41.38 0.08 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.428 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 0.9 OUTLIER -144.65 152.69 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.428 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 27.7 ttpt -87.25 129.16 35.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.422 ' CD2' HG23 ' A' ' 58' ' ' VAL . 24.0 mt -54.92 117.1 3.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.416 ' C ' ' HG2' ' A' ' 108' ' ' LYS . 13.3 mm-40 -96.39 -55.44 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.416 ' HG2' ' C ' ' A' ' 107' ' ' GLU . 9.6 mmtp -149.76 152.74 35.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.583 0.706 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 154.02 68.41 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 15.2 t -65.14 164.83 12.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.568 HD23 ' CD2' ' A' ' 34' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.558 HD21 ' CD2' ' A' ' 19' ' ' PHE . 1.7 tt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.786 0.327 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 4.9 pt20 -59.69 -30.9 69.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.421 ' N ' ' HG3' ' A' ' 14' ' ' GLN . . . -61.64 -32.02 72.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -51.41 130.77 34.17 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.68 0.752 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.428 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 53.0 Cg_endo -69.83 -44.08 2.24 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.47 ' CE3' HD11 ' A' ' 44' ' ' ILE . 21.5 p-90 -69.72 -11.42 60.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.558 ' CD2' HD21 ' A' ' 13' ' ' LEU . 13.3 t80 -89.79 111.19 22.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.428 ' CE1' ' O ' ' A' ' 17' ' ' PRO . 5.6 m-85 -114.04 41.66 2.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 37.8 -143.87 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.533 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.61 106.96 18.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.464 HD12 ' N ' ' A' ' 28' ' ' ALA . 19.4 pt -134.26 171.71 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -100.52 153.79 19.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -46.36 -30.76 2.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.16 -44.97 86.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -70.88 -39.88 72.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.464 ' N ' HD12 ' A' ' 23' ' ' ILE . . . -69.94 -41.43 74.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 32' ' ' LEU . 20.6 mt-10 -60.81 -68.0 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 29' ' ' GLU . 14.5 mtpp -37.12 -37.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -68.98 -42.83 76.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' GLU . 78.1 mt -71.43 -42.37 68.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.494 ' CD2' ' CG2' ' A' ' 64' ' ' VAL . 4.5 mm? -65.15 -20.31 66.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -38.59 154.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.9 m -69.77 -59.11 3.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.837 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -43.99 -37.04 2.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.513 ' ND2' ' HG ' ' A' ' 110' ' ' CYS . 86.2 m-20 -81.8 146.29 29.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.421 ' C ' HD21 ' A' ' 59' ' ' LEU . 18.6 mt-30 -139.34 175.15 9.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 38' ' ' GLN . 67.3 m -36.27 116.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.19 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.53 -36.82 2.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.1 117.02 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.58 ' CE2' ' CG1' ' A' ' 92' ' ' VAL . 35.3 p90 -121.31 159.34 26.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -163.96 133.07 3.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.47 HD11 ' CE3' ' A' ' 18' ' ' TRP . 4.0 mp -104.34 139.4 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.076 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.456 ' CZ ' ' HB2' ' A' ' 57' ' ' SER . 2.9 ptt-85 -136.82 160.65 38.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.559 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 1.9 mp0 -81.91 142.91 32.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.3 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.804 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 t70 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.815 0.34 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.559 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 91.4 m-85 -153.29 147.85 26.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.447 ' O ' ' NH1' ' A' ' 45' ' ' ARG . 2.1 t -119.56 132.66 55.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.6 tp -97.66 110.71 23.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -101.21 113.33 26.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.466 HG23 ' CD2' ' A' ' 106' ' ' LEU . 15.2 t -118.67 149.57 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.423 HD12 ' C ' ' A' ' 62' ' ' GLY . 7.2 tp -102.38 134.51 45.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.479 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 0.7 OUTLIER -133.37 84.78 2.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.872 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 71.58 28.7 2.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.423 ' C ' HD12 ' A' ' 59' ' ' LEU . . . 100.93 -3.28 55.71 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.497 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.479 ' CG1' ' O ' ' A' ' 60' ' ' ASP . 10.4 p -99.63 125.54 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.91 0.386 . . . . 0.0 111.095 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.494 ' CG2' ' CD2' ' A' ' 33' ' ' LEU . 17.0 t -88.76 98.11 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.51 ' O ' ' CE1' ' A' ' 67' ' ' TYR . 6.5 mttm -94.39 105.53 17.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.44 ' CE1' HG13 ' A' ' 64' ' ' VAL . 2.4 m-70 -83.82 135.68 34.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.848 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.51 ' CE1' ' O ' ' A' ' 65' ' ' LYS . 47.2 m-85 -126.32 113.95 17.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.448 ' HD3' ' N ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -61.58 139.7 58.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 56.2 mt -118.56 101.8 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -79.44 165.22 23.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -125.72 154.72 42.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.578 HD22 ' CD1' ' A' ' 78' ' ' PHE . 2.9 mm? . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.85 0.357 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.578 ' CD1' HD22 ' A' ' 72' ' ' LEU . 6.4 p90 -152.05 128.87 10.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.5 tp -85.46 -24.88 27.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.1 t -143.03 136.78 28.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.426 ' HD3' ' CE2' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -55.28 -13.01 1.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -70.19 -27.0 64.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -153.7 144.41 22.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.46 HG11 ' CD2' ' A' ' 72' ' ' LEU . 97.6 t -132.08 137.0 55.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.506 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 31.1 m-85 -108.71 -176.57 3.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.5 m -102.83 -52.84 2.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.0 p -132.13 160.67 35.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.464 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 83.5 mt -46.5 -25.84 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -61.58 -69.2 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.957 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -58.15 -21.96 49.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.506 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 2.9 t80 -63.82 -41.69 97.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.58 ' CG1' ' CE2' ' A' ' 42' ' ' PHE . 92.4 t -92.67 -37.52 8.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.429 ' ND2' ' C ' ' A' ' 93' ' ' ASN . 0.1 OUTLIER -58.64 -22.24 56.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -87.62 -63.74 1.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -48.42 -36.99 15.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -48.96 -30.01 5.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.5 p -86.08 -23.51 26.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.171 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.406 ' N ' ' HD2' ' A' ' 105' ' ' LYS . 9.1 t -161.98 139.88 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.5 p -67.89 -33.02 73.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 39.0 t70 57.33 43.39 23.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.93 -33.24 6.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 103' ' ' CYS . 4.1 mt -48.75 133.0 17.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 102' ' ' LEU . 4.5 m -34.42 -42.26 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.459 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 2.3 p -143.31 158.13 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.082 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.459 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 19.7 ttpp -91.35 125.99 36.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.466 ' CD2' HG23 ' A' ' 58' ' ' VAL . 24.5 mt -52.66 116.66 2.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -93.22 -71.04 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -135.84 152.82 76.56 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.561 0.696 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 140.84 43.81 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.649 2.232 . . . . 0.0 112.363 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.513 ' HG ' ' ND2' ' A' ' 37' ' ' ASN . 8.5 t -52.38 167.59 0.13 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.4 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.751 0.31 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -51.61 -17.31 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.56 -28.34 23.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.404 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 41.7 mm-40 -62.22 131.28 93.54 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.628 0.728 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -46.17 1.33 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.442 ' CE3' HD13 ' A' ' 44' ' ' ILE . 23.8 p-90 -62.82 -16.65 59.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -85.91 110.67 19.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -110.04 40.91 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 47.42 -122.72 7.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.51 102.19 9.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.702 0.287 . . . . 0.0 111.094 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.44 HD11 ' CB ' ' A' ' 28' ' ' ALA . 9.4 pt -128.72 163.05 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.152 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.3 168.14 14.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -58.59 -35.72 72.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.72 98.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -70.5 -41.78 72.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.44 ' CB ' HD11 ' A' ' 23' ' ' ILE . . . -70.11 -33.68 72.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -70.37 -61.03 1.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -46.56 -40.03 12.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.822 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.487 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 16.1 mm-40 -66.44 -30.68 71.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.415 HD12 ' C ' ' A' ' 58' ' ' VAL . 14.3 mt -80.52 -50.72 9.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.419 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 6.6 mt -59.8 -16.62 29.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.406 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 8.5 t80 -36.87 153.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.1 t -68.85 -66.77 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.829 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -40.58 -29.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.945 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 88.6 m-20 -85.63 148.63 25.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.423 ' C ' HD21 ' A' ' 59' ' ' LEU . 6.0 pt20 -138.14 -179.28 5.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.401 ' N ' ' HG3' ' A' ' 38' ' ' GLN . 97.6 m -46.61 113.18 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.02 -35.56 2.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.526 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.33 115.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 0.0 111.105 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.559 ' CE2' HG12 ' A' ' 92' ' ' VAL . 39.5 p90 -119.72 158.38 26.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.458 ' HB3' ' CB ' ' A' ' 110' ' ' CYS . 0.8 OUTLIER -163.94 132.37 3.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.442 HD13 ' CE3' ' A' ' 18' ' ' TRP . 2.9 mp -104.05 148.23 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.064 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.456 ' CZ ' ' HB2' ' A' ' 57' ' ' SER . 6.7 ptt-85 -146.29 164.15 33.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.416 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 27.0 mt-10 -82.28 125.51 31.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.791 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.84 0.352 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.416 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 83.2 m-85 -139.52 163.6 32.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.414 ' O ' ' NH1' ' A' ' 45' ' ' ARG . 67.0 m -135.66 132.85 37.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.892 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.8 tp -99.6 118.81 36.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 45' ' ' ARG . 1.1 t -110.28 115.41 29.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.417 ' CG1' ' N ' ' A' ' 59' ' ' LEU . 24.1 t -121.71 153.11 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.148 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.423 HD21 ' C ' ' A' ' 38' ' ' GLN . 11.6 tp -100.23 129.53 46.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.493 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 4.0 t70 -134.43 85.16 2.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 71.05 50.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.419 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 77.68 -6.49 46.46 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.472 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 60' ' ' ASP . 2.8 p -98.0 156.93 3.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.811 0.339 . . . . 0.0 111.182 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.403 HG13 ' CE1' ' A' ' 66' ' ' HIS . 87.2 t -116.06 108.21 24.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -87.62 105.45 17.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.89 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.403 ' CE1' HG13 ' A' ' 64' ' ' VAL . 92.5 m-70 -83.52 110.44 18.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 81.3 m-85 -107.26 122.37 46.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.929 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -73.07 126.71 30.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 41.4 mt -98.75 103.73 15.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.35 147.42 24.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.561 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 35.2 mtp180 -114.15 152.49 31.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.561 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.561 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 30.3 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.561 ' CE1' HD11 ' A' ' 72' ' ' LEU . 4.2 p90 -161.07 130.33 4.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.9 tp -91.98 -14.42 29.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 81' ' ' ARG . 1.9 t -153.99 118.46 4.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 80' ' ' THR . 18.1 mmm180 -33.74 -44.9 0.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.529 ' CG ' ' N ' ' A' ' 83' ' ' LYS . 0.4 OUTLIER -42.76 -49.98 5.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.567 ' HE3' ' CE1' ' A' ' 94' ' ' TYR . 3.1 tppt? -118.91 155.32 31.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.465 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 64.3 t -147.53 138.63 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.542 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 23.2 m-85 -115.88 -177.61 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.8 m -110.3 -44.48 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.2 p -131.76 154.59 48.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.9 mt -47.21 -25.61 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -63.32 -61.8 2.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -64.67 -15.13 60.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.551 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.6 t80 -71.21 -40.52 71.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.559 HG12 ' CE2' ' A' ' 42' ' ' PHE . 84.1 t -92.0 -36.21 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -60.46 -13.42 13.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.567 ' CE1' ' HE3' ' A' ' 83' ' ' LYS . 32.6 t80 -93.29 -63.17 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -54.28 -27.57 36.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.54 -14.25 1.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.191 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.2 p -101.95 -29.79 11.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.204 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.2 t -156.87 152.55 26.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.476 ' HB3' ' CA ' ' A' ' 105' ' ' LYS . 88.1 p -102.91 31.79 4.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.826 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 99' ' ' SER . 16.2 m-20 -34.15 102.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.5 -44.77 3.07 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 99' ' ' SER . 3.0 mt -60.05 149.76 31.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.804 0.335 . . . . 0.0 110.899 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 35.8 t -62.25 -36.74 82.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.466 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 2.3 p -141.65 158.33 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.476 ' CA ' ' HB3' ' A' ' 99' ' ' SER . 23.9 ttpt -92.62 128.81 38.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 16.8 mt -57.86 110.66 0.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.007 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -93.94 -53.58 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.43 ' C ' ' CE1' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -144.11 154.8 58.32 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.582 0.706 . . . . 0.0 110.815 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 164.9 32.82 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.732 2.288 . . . . 0.0 112.323 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.458 ' CB ' ' HB3' ' A' ' 43' ' ' LEU . 42.2 t -78.01 150.21 33.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.7 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.564 HD21 ' CD2' ' A' ' 19' ' ' PHE . 1.5 tt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.795 0.331 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -55.89 -26.61 48.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.92 -28.62 67.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -53.83 134.48 56.58 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.727 0.775 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -46.09 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.741 2.294 . . . . 0.0 112.292 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.492 ' CE3' HD12 ' A' ' 44' ' ' ILE . 21.3 p-90 -69.07 -14.91 63.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.956 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.564 ' CD2' HD21 ' A' ' 13' ' ' LEU . 14.3 t80 -87.53 115.12 24.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -113.68 29.65 7.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.09 -121.2 25.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.7 103.43 10.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.32 . . . . 0.0 111.186 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.5 pt -132.64 163.55 37.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -92.45 161.76 14.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -52.71 -34.46 52.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.99 -46.26 88.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.075 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -69.73 -40.75 76.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.04 -46.59 80.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 32' ' ' LEU . 19.8 mt-10 -56.07 -59.79 4.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -38.94 -39.55 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -70.76 -37.14 73.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' GLU . 59.7 mt -73.59 -51.32 17.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 34' ' ' TYR . 3.9 mm? -58.96 -18.5 34.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 33' ' ' LEU . 3.7 t80 -36.27 152.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.4 t -72.94 -57.72 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -47.87 -31.48 5.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -84.62 144.04 28.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.422 ' C ' HD21 ' A' ' 59' ' ' LEU . 2.9 pt20 -131.76 -179.44 5.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.2 m -44.54 114.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.78 -32.24 3.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.31 121.45 5.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.767 0.317 . . . . 0.0 111.052 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.579 ' CE2' ' CG1' ' A' ' 92' ' ' VAL . 35.9 p90 -127.18 161.34 28.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 pp -168.25 129.89 1.39 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.492 HD12 ' CE3' ' A' ' 18' ' ' TRP . 4.4 mp -100.01 149.07 6.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 ptt85 -142.73 160.98 39.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -79.55 125.43 29.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.4 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.795 -179.774 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 t70 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.777 0.322 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -152.74 156.91 40.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.789 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 m -129.65 123.99 32.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.824 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.5 tp -93.2 121.88 35.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.401 ' C ' HD11 ' A' ' 32' ' ' LEU . 16.8 m -114.06 109.5 18.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 59' ' ' LEU . 46.9 t -113.24 154.64 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.422 HD21 ' C ' ' A' ' 38' ' ' GLN . 22.1 tp -103.09 131.87 49.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.488 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 2.1 t70 -134.78 81.82 1.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 71.14 42.27 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.2 -10.3 73.6 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.447 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' A' ' 60' ' ' ASP . 6.4 p -94.07 150.9 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 111.096 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.453 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 55.0 t -113.14 109.95 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -90.9 107.89 19.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -83.44 110.28 18.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.822 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 83.1 m-85 -107.72 116.37 31.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -69.94 130.88 43.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.2 mt -103.3 99.7 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.444 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 27.6 mtp180 -83.32 152.44 25.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.446 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 8.6 mtp-105 -116.99 151.04 37.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.564 HD12 ' CE1' ' A' ' 78' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.446 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 35.4 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.979 0.418 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.564 ' CE1' HD12 ' A' ' 72' ' ' LEU . 6.4 p90 -153.2 130.87 11.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.6 tp -87.44 -25.45 23.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.5 t -145.77 129.4 17.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.7 tpt85 -46.0 -21.95 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -65.72 -39.75 91.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.575 ' HD2' ' CZ ' ' A' ' 85' ' ' PHE . 6.8 tmtm? -135.37 142.53 45.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.471 ' N ' ' HD3' ' A' ' 83' ' ' LYS . 48.3 t -130.51 154.35 40.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.575 ' CZ ' ' HD2' ' A' ' 83' ' ' LYS . 39.2 m-85 -128.26 179.2 5.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.7 m -102.03 -50.23 3.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 89' ' ' ASN . 68.6 p -133.15 154.32 50.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.197 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.418 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 84.8 mt -42.72 -24.91 0.07 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 87' ' ' THR . 2.5 t-20 -62.59 -67.44 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.916 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -60.72 -14.58 21.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.53 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.9 t80 -71.41 -38.42 71.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.842 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.579 ' CG1' ' CE2' ' A' ' 42' ' ' PHE . 95.1 t -92.78 -37.59 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.124 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.474 ' ND2' ' C ' ' A' ' 93' ' ' ASN . 0.1 OUTLIER -60.67 -9.83 4.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -94.52 -69.19 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.493 ' CE1' HD13 ' A' ' 102' ' ' LEU . 44.1 m-85 -49.98 -27.13 4.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.7 p -52.47 -18.51 1.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.8 p -92.22 -40.16 11.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.7 t -153.12 161.02 42.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 101' ' ' GLY . 24.3 p -103.17 34.0 3.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 99' ' ' SER . 23.6 m-20 -37.12 93.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 97.1 -40.72 2.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.489 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.493 HD13 ' CE1' ' A' ' 95' ' ' TYR . 3.0 mt -66.15 146.21 54.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.347 . . . . 0.0 110.953 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 43.9 t -55.91 -38.84 70.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.469 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 2.3 p -141.09 158.79 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.469 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 18.1 ttpt -91.89 130.52 37.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.2 mt -58.77 115.47 3.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -93.56 -62.72 1.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -143.53 152.51 56.83 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.597 0.713 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 142.91 49.2 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.701 2.267 . . . . 0.0 112.297 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.4 t -49.11 170.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.41 HD23 ' CE2' ' A' ' 34' ' ' TYR . 1.4 pp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.556 HD22 ' CD2' ' A' ' 19' ' ' PHE . 1.6 tt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.764 0.316 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -56.89 -33.18 66.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.74 -31.36 70.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.459 ' CG ' HD21 ' A' ' 13' ' ' LEU . 67.8 mm-40 -49.16 131.29 16.38 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.722 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -45.49 1.57 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.718 2.279 . . . . 0.0 112.256 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.499 ' CE3' HD11 ' A' ' 44' ' ' ILE . 18.9 p-90 -70.0 -10.08 57.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.967 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CD2' HD22 ' A' ' 13' ' ' LEU . 12.7 t80 -92.31 115.55 28.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.408 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 3.1 m-85 -115.11 40.96 2.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 46.05 -119.79 4.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.41 104.25 11.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 111.108 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.9 pt -131.99 162.55 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.168 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -92.74 161.5 14.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.475 ' HB2' ' CE1' ' A' ' 66' ' ' HIS . 9.9 ptp180 -49.91 -34.4 20.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.49 -48.1 79.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 5.4 m-20 -65.13 -37.28 86.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.39 -38.86 65.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 32' ' ' LEU . 11.9 mt-10 -62.93 -66.81 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -42.34 -32.76 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 15.7 mm-40 -73.49 -36.42 65.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.96 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 29' ' ' GLU . 34.6 mt -76.73 -45.18 30.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.944 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.59 -11.44 24.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -41.06 159.2 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.8 t -72.6 -59.46 2.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -49.78 -37.19 28.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -80.67 146.23 31.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.412 ' C ' HD22 ' A' ' 59' ' ' LEU . 1.3 pt20 -143.73 -177.54 5.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.4 m -38.95 115.39 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.75 -34.92 3.16 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.414 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.26 110.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 111.09 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.583 ' CE2' ' CG1' ' A' ' 92' ' ' VAL . 21.2 p90 -115.19 156.66 24.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.408 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 1.4 pp -166.78 131.1 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.499 HD11 ' CE3' ' A' ' 18' ' ' TRP . 3.7 mp -99.37 150.64 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 ptt85 -145.88 157.86 43.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.443 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 10.1 mt-10 -78.25 137.76 38.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.755 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.875 0.369 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.443 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 44.9 m-85 -138.69 164.5 29.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 t -134.69 130.28 36.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.7 tp -93.13 118.71 31.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.76 107.27 17.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.467 HG21 ' CD2' ' A' ' 106' ' ' LEU . 19.5 t -113.41 137.75 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.07 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.456 HD12 ' CA ' ' A' ' 62' ' ' GLY . 25.0 tp -90.79 133.41 35.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.974 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.481 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 1.1 t70 -134.82 80.47 1.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 72.46 40.33 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.456 ' CA ' HD12 ' A' ' 59' ' ' LEU . . . 92.3 -11.2 72.69 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.481 ' CG1' ' O ' ' A' ' 60' ' ' ASP . 9.7 p -92.5 140.39 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.842 0.353 . . . . 0.0 111.148 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.417 ' CG1' HD11 ' A' ' 32' ' ' LEU . 17.2 t -108.11 106.8 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.163 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.465 ' CE ' HG12 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -90.81 108.14 19.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.929 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.475 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 76.4 m-70 -83.74 111.63 19.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -107.19 109.84 21.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.951 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.51 107.74 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.1 mt -74.03 98.52 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.426 ' CB ' ' CZ ' ' A' ' 78' ' ' PHE . 11.0 mmm180 -73.4 154.09 40.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.566 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 12.8 mtp-105 -129.7 147.89 51.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.54 HD12 ' CE2' ' A' ' 78' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 48.6 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.54 ' CE2' HD12 ' A' ' 72' ' ' LEU . 2.5 p90 -161.99 129.28 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.2 tp -87.26 -21.75 25.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.8 t -147.65 149.9 33.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 20.4 mmm-85 -66.55 -4.8 9.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -99.0 12.45 35.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 84' ' ' VAL . 16.7 tptt -167.54 155.46 9.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.468 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 97.2 t -158.1 143.98 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.408 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 26.0 m-85 -124.24 -174.95 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.9 m -108.28 -39.41 5.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 66.7 p -137.94 154.81 49.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.406 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 94.3 mt -48.91 -26.87 2.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -64.1 -62.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.49 ' HA ' ' ND2' ' A' ' 93' ' ' ASN . 10.0 mt-10 -62.13 -10.08 9.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.591 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 0.4 OUTLIER -80.57 -32.07 36.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.583 ' CG1' ' CE2' ' A' ' 42' ' ' PHE . 89.7 t -92.69 -33.9 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.49 ' ND2' ' HA ' ' A' ' 90' ' ' GLU . 22.7 p30 -66.39 -15.36 63.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.471 ' N ' ' OD1' ' A' ' 93' ' ' ASN . 13.3 t80 -87.74 -49.2 7.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -75.3 -4.05 36.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.12 -17.2 59.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 35.0 p -102.62 -21.15 14.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.5 t -164.98 149.95 9.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.162 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.0 p -87.54 -25.28 23.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.1 p30 43.74 48.72 6.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . 109.95 -48.14 0.97 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 103' ' ' CYS . 3.6 mt -37.66 133.2 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.752 0.311 . . . . 0.0 110.966 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 102' ' ' LEU . 15.7 p -34.19 -39.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.484 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 2.4 p -150.89 159.91 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.484 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 0.2 OUTLIER -90.15 128.83 36.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.467 ' CD2' HG21 ' A' ' 58' ' ' VAL . 21.5 mt -55.47 127.01 27.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -109.92 -67.51 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -136.86 151.12 71.74 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.54 0.686 . . . . 0.0 110.996 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 144.77 55.71 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.404 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 23.7 t -56.7 158.92 4.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.2 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 -179.93 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.568 HD22 ' CD2' ' A' ' 19' ' ' PHE . 1.7 tt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.745 0.307 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -58.62 -27.83 65.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.34 -28.12 65.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.45 ' CG ' HD21 ' A' ' 13' ' ' LEU . 12.2 mm-40 -49.1 133.82 15.59 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.636 0.732 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.402 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 54.1 Cg_endo -69.81 -42.25 3.52 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.7 2.267 . . . . 0.0 112.377 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.484 ' CE3' HD11 ' A' ' 44' ' ' ILE . 14.0 p-90 -73.05 -15.79 61.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CD2' HD22 ' A' ' 13' ' ' LEU . 8.1 t80 -87.02 128.69 35.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.402 ' CE1' ' O ' ' A' ' 17' ' ' PRO . 11.5 m-85 -130.37 38.22 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 49.72 -123.76 14.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.4 103.62 10.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.78 0.324 . . . . 0.0 111.132 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.4 pt -127.32 173.34 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.129 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt -100.37 162.5 12.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.2 ptt-85 -53.05 -32.83 48.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.26 -46.66 69.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -67.92 -30.68 70.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.88 -36.25 25.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -69.04 -48.6 62.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 ptmm? -55.22 -43.61 74.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.425 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 6.0 mm100 -65.95 -32.65 74.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.8 mt -74.47 -55.75 5.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 10.1 mt -54.07 -20.17 6.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.923 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' A' ' 33' ' ' LEU . 9.8 t80 -35.05 152.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 36' ' ' GLU . 2.4 m -65.46 -71.39 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 35' ' ' SER . 35.6 mm-40 -34.16 -38.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 84.1 m-20 -78.56 142.7 37.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.418 ' C ' HD21 ' A' ' 59' ' ' LEU . 2.6 pm0 -136.16 177.64 7.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' GLN . 80.9 m -37.68 116.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.78 -36.76 2.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.11 113.53 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.578 ' CE2' ' CG1' ' A' ' 92' ' ' VAL . 18.0 p90 -120.4 156.08 32.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 pp -166.48 131.48 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.484 HD11 ' CE3' ' A' ' 18' ' ' TRP . 4.1 mp -100.63 143.64 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.18 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 ptt85 -139.42 157.38 45.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -83.15 140.01 32.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.422 ' HB3' ' CG ' ' A' ' 53' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.422 ' CG ' ' HB3' ' A' ' 47' ' ' SER . 2.8 p30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.813 0.34 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -152.18 153.98 34.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.1 m -133.43 125.8 29.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.801 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.455 HD21 ' CD2' ' A' ' 79' ' ' LEU . 10.4 tp -92.89 117.44 30.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.4 m -110.29 109.41 19.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' A' ' 59' ' ' LEU . 19.4 t -113.13 151.81 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.418 HD21 ' C ' ' A' ' 38' ' ' GLN . 25.2 tp -97.15 131.8 43.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.974 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.495 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 1.6 t70 -134.97 82.68 1.97 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.891 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 69.59 44.57 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.495 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 87.54 -11.19 66.78 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.485 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 60' ' ' ASP . 5.1 p -93.46 153.93 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 111.097 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 79.9 t -116.88 107.62 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.087 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.55 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -87.8 109.15 19.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -84.73 110.32 18.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.55 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 89.2 m-85 -106.43 114.84 29.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.1 tpp85 -67.62 120.51 14.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.8 mt -93.05 99.15 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.152 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 2.8 mmp_? -83.44 152.6 24.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.424 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 6.8 mtp-105 -115.61 156.64 25.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.424 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 42.8 m-85 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.563 ' CD1' HD12 ' A' ' 72' ' ' LEU . 7.4 p90 -151.98 131.7 13.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.455 ' CD2' HD21 ' A' ' 56' ' ' LEU . 12.1 tp -91.17 -15.27 29.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.1 t -156.12 125.75 6.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -41.23 -27.48 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -59.14 -45.63 90.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.551 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 49.3 tptt -129.12 147.9 51.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 74.1 t -138.08 153.96 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.508 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 23.7 m-85 -131.42 -177.46 4.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 71.0 m -105.75 -52.16 2.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 52.9 p -123.6 160.55 26.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.192 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.426 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 59.6 mt -52.01 -26.97 11.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -62.72 -59.86 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.816 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.18 -15.32 62.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.3 t80 -71.79 -41.78 67.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.578 ' CG1' ' CE2' ' A' ' 42' ' ' PHE . 96.9 t -91.84 -35.47 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -59.95 -12.45 7.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.551 ' CE2' ' HE2' ' A' ' 83' ' ' LYS . 34.9 t80 -96.04 -58.5 2.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.943 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -61.82 -16.31 48.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.408 ' CG2' HG13 ' A' ' 92' ' ' VAL . 3.2 p -66.56 -16.98 64.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.8 p -92.53 -33.75 14.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.159 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.9 t -155.75 170.54 21.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 79.1 p -111.8 49.25 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -49.61 96.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.11 -44.34 2.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.476 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.419 HD22 ' CZ ' ' A' ' 67' ' ' TYR . 3.0 mt -57.88 149.66 22.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.34 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 55.8 m -60.55 -37.49 81.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.478 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 2.3 p -141.01 159.64 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.478 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 12.2 ttmt -90.25 131.08 36.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 21.6 mt -59.16 116.31 3.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -96.72 -68.65 0.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -137.01 151.22 71.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.549 0.69 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 144.8 55.64 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.723 2.282 . . . . 0.0 112.396 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 43.4 t -60.91 144.12 53.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.1 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.903 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.5 HD22 ' CD2' ' A' ' 19' ' ' PHE . 1.8 tt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.703 0.287 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 4.9 pt20 -57.17 -32.23 66.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.421 ' N ' ' HG3' ' A' ' 14' ' ' GLN . . . -61.33 -28.46 69.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.403 ' CG ' HD21 ' A' ' 13' ' ' LEU . 62.2 mm-40 -54.6 131.66 64.2 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.615 0.722 . . . . 0.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 -46.95 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.652 2.235 . . . . 0.0 112.329 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.443 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 13.9 p-90 -67.1 -8.39 30.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.5 ' CD2' HD22 ' A' ' 13' ' ' LEU . 9.7 t80 -93.11 112.87 24.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -114.18 30.77 7.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 49.83 -139.78 17.31 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.418 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.51 108.97 20.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.763 0.316 . . . . 0.0 111.094 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.8 pt -138.24 163.67 28.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -94.84 155.8 16.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -47.24 -31.28 3.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.29 -44.04 84.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -68.03 -43.67 78.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.77 -46.99 67.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -58.65 -35.05 71.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -67.38 -41.51 84.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.476 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 19.4 mm-40 -71.51 -32.58 68.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.441 ' CD1' HG22 ' A' ' 64' ' ' VAL . 86.4 mt -76.9 -53.42 7.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 18.2 mt -58.38 -12.87 4.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -41.33 158.15 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.1 t -71.0 -60.6 2.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -46.03 -33.16 3.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.486 ' ND2' ' HG ' ' A' ' 110' ' ' CYS . 86.6 m-20 -83.72 149.79 26.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 39' ' ' THR . 8.2 pt20 -146.8 -179.34 6.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 38' ' ' GLN . 85.9 m -35.98 117.36 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.138 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.64 -37.81 2.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -42.32 113.09 0.41 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.79 0.329 . . . . 0.0 111.141 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.574 ' CE2' HG13 ' A' ' 92' ' ' VAL . 24.3 p90 -119.11 162.03 19.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.404 ' C ' HD11 ' A' ' 43' ' ' LEU . 1.0 OUTLIER -171.02 126.83 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.429 HD11 ' CE3' ' A' ' 18' ' ' TRP . 4.0 mp -99.04 137.25 27.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.0 ptt85 -131.63 166.56 21.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.44 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 9.1 mt-10 -87.11 128.11 35.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.687 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.903 0.383 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.44 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 87.4 m-85 -146.68 147.53 31.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.0 m -122.31 126.7 48.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.4 tp -95.48 112.44 24.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.1 m -105.45 122.22 45.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.42 HG23 ' CD2' ' A' ' 106' ' ' LEU . 16.6 t -127.82 142.92 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.423 HD12 ' C ' ' A' ' 62' ' ' GLY . 49.5 tp -89.97 135.98 33.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.974 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 1.1 t70 -134.94 77.27 1.67 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.814 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 74.98 25.03 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.473 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 110.79 -14.2 29.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.464 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.467 HG12 ' CE ' ' A' ' 65' ' ' LYS . 3.0 p -99.65 130.22 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.118 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.441 HG22 ' CD1' ' A' ' 32' ' ' LEU . 70.8 t -94.23 110.85 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.576 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -87.33 108.08 18.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -83.48 112.18 19.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 88.0 m-85 -106.49 125.68 51.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.4 ttm-85 -72.85 123.74 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 56.9 mt -102.03 98.11 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.451 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 98.3 mtt180 -80.86 156.44 26.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.958 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.488 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 5.2 mtp-105 -120.38 148.94 43.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.519 ' CD1' ' CE1' ' A' ' 78' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.949 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.488 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 32.8 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.915 0.388 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.531 ' CE2' ' HD3' ' A' ' 81' ' ' ARG . 7.7 p90 -156.79 130.32 8.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.1 tp -86.7 -24.21 25.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.472 ' CG2' ' HG2' ' A' ' 82' ' ' ARG . 10.0 t -145.77 143.4 29.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.531 ' HD3' ' CE2' ' A' ' 78' ' ' PHE . 18.0 mmt180 -59.55 -13.58 9.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.472 ' HG2' ' CG2' ' A' ' 80' ' ' THR . 3.1 ptp180 -86.12 -0.22 55.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.521 ' HE2' ' CZ ' ' A' ' 94' ' ' TYR . 15.0 mmmt -155.94 161.05 40.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 83' ' ' LYS . 92.7 t -161.0 137.15 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.512 ' CG ' ' HA ' ' A' ' 91' ' ' PHE . 24.0 m-85 -120.16 -177.03 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.1 m -104.42 -52.5 2.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 47.1 p -128.64 155.86 44.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.443 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 84.6 mt -45.18 -26.39 0.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -62.34 -68.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -56.94 -25.85 58.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.559 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.1 t80 -62.33 -38.2 88.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.574 HG13 ' CE2' ' A' ' 42' ' ' PHE . 70.6 t -92.46 -39.91 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.041 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -54.77 -25.32 27.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.521 ' CZ ' ' HE2' ' A' ' 83' ' ' LYS . 33.7 t80 -80.02 -60.26 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.43 ' O ' ' N ' ' A' ' 98' ' ' THR . 43.5 m-85 -54.85 -43.03 72.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.8 p -42.13 -25.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.12 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 95' ' ' TYR . 11.9 p -89.16 -37.44 15.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 95' ' ' TYR . 13.3 t -152.2 145.3 24.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 89.0 p -68.13 -31.83 71.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.828 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.3 t0 60.47 29.06 18.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 109.36 -28.18 11.33 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.548 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 103' ' ' CYS . 2.7 mt -49.88 135.19 20.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.339 . . . . 0.0 110.874 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 102' ' ' LEU . 42.4 t -33.89 -39.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.453 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 1.4 p -149.25 155.12 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.453 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 32.6 ttpt -87.73 132.16 34.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.42 ' CD2' HG23 ' A' ' 58' ' ' VAL . 26.7 mt -60.14 106.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.949 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.13 -70.79 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -135.22 152.33 76.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.531 0.682 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 151.89 69.2 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.703 2.269 . . . . 0.0 112.311 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.486 ' HG ' ' ND2' ' A' ' 37' ' ' ASN . 11.1 t -60.52 166.34 3.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 14.5 mt . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.966 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 mt . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.751 0.31 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -54.43 -21.2 9.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.48 -29.85 23.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.075 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -55.31 129.72 68.68 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.666 0.746 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -40.83 4.83 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.475 ' CE3' HD13 ' A' ' 44' ' ' ILE . 21.5 p-90 -69.25 -15.41 63.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -86.63 128.19 34.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.802 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -129.18 42.66 3.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 44.27 -123.36 4.95 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.03 100.87 8.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.709 0.29 . . . . 0.0 111.051 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.9 pt -129.25 162.85 35.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -92.14 154.62 18.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.947 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -47.16 -28.35 1.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.4 -47.42 67.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -68.96 -31.96 71.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.71 -41.63 30.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.053 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -59.62 -59.19 5.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -45.85 -33.04 2.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.447 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 19.3 mm-40 -73.87 -38.14 64.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.3 mt -74.98 -53.49 8.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 20.3 mt -55.87 -13.87 2.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -43.94 168.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 37' ' ' ASN . 95.6 p -82.54 -66.62 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.821 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -38.81 -26.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 35' ' ' SER . 92.0 m-20 -88.87 144.95 25.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.412 ' C ' HD22 ' A' ' 59' ' ' LEU . 9.8 pt20 -132.42 178.45 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.2 m -46.86 110.19 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.68 -33.52 2.4 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.455 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.89 120.19 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 111.092 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.561 ' CE2' HG12 ' A' ' 92' ' ' VAL . 39.0 p90 -125.16 151.23 46.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.457 ' HB3' ' CB ' ' A' ' 110' ' ' CYS . 0.6 OUTLIER -155.98 134.6 11.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.475 HD13 ' CE3' ' A' ' 18' ' ' TRP . 2.9 mp -104.65 148.65 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.07 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.456 ' CZ ' ' HB2' ' A' ' 57' ' ' SER . 2.5 ptt-85 -145.59 164.4 31.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.539 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 24.6 mt-10 -87.68 139.26 30.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.853 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.484 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 4.1 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.839 0.352 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.539 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 71.8 m-85 -154.98 158.26 38.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.451 ' O ' ' NH1' ' A' ' 45' ' ' ARG . 62.7 m -129.54 134.94 48.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.838 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 tp -101.94 107.5 18.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -97.77 116.37 29.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.1 t -121.3 151.58 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.412 HD22 ' C ' ' A' ' 38' ' ' GLN . 16.9 tp -102.83 131.03 50.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.489 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 3.6 t70 -134.96 86.89 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 68.57 34.35 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.5 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 97.28 -14.35 63.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.546 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 60' ' ' ASP . 9.8 p -90.01 152.77 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.924 0.392 . . . . 0.0 111.118 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.5 t -116.93 107.17 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.197 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.476 ' CE ' HG12 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -90.39 109.83 20.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -83.25 114.88 21.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.568 ' CE1' HD23 ' A' ' 102' ' ' LEU . 93.4 m-85 -106.46 119.09 38.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -68.69 115.28 7.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 44.8 mt -87.76 96.22 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.158 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.422 ' CB ' ' CZ ' ' A' ' 78' ' ' PHE . 12.3 mmm-85 -73.46 156.11 38.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.572 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 12.0 mtp-105 -131.33 148.9 52.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.493 ' CD1' ' CE2' ' A' ' 78' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.572 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 28.3 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.828 0.347 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.493 ' CE2' ' CD1' ' A' ' 72' ' ' LEU . 2.9 p90 -160.56 129.17 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.8 tp -87.11 -14.85 40.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 82' ' ' ARG . 9.6 t -154.98 125.55 6.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -42.45 -23.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 80' ' ' THR . 10.4 mmm180 -65.88 -45.24 82.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -123.18 149.77 44.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.438 HG21 ' CB ' ' A' ' 78' ' ' PHE . 73.0 t -141.53 148.99 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.081 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.429 ' CG ' ' HA ' ' A' ' 91' ' ' PHE . 15.1 m-85 -124.87 -177.02 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.9 m -106.19 -49.03 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.81 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 66.4 p -133.19 154.43 50.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.129 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.0 mt -44.24 -27.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.912 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.417 ' OD1' ' ND2' ' A' ' 93' ' ' ASN . 2.3 t-20 -60.41 -65.35 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -61.0 -22.55 64.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.463 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 4.4 t80 -62.92 -40.46 97.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.561 HG12 ' CE2' ' A' ' 42' ' ' PHE . 94.0 t -92.0 -39.28 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.417 ' ND2' ' OD1' ' A' ' 89' ' ' ASN . 79.4 m-20 -57.28 -17.77 13.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -87.0 -63.78 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.45 ' CD2' ' O ' ' A' ' 91' ' ' PHE . 47.2 m-85 -47.39 -42.97 23.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.8 p -42.01 -24.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.203 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 95' ' ' TYR . 4.8 p -90.87 -36.27 14.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 95' ' ' TYR . 7.4 t -156.3 130.58 8.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.1 p -49.11 -45.37 43.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.5 t70 70.45 48.32 0.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.0 2.49 86.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.568 HD23 ' CE1' ' A' ' 67' ' ' TYR . 3.4 mt -85.39 134.37 34.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 102' ' ' LEU . 35.8 t -34.03 -41.48 0.1 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.416 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 1.6 p -146.46 153.48 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.188 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.416 ' HD2' ' C ' ' A' ' 97' ' ' THR . 20.7 ttpt -87.53 126.91 35.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 18.5 mt -54.98 115.97 2.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -99.17 -55.01 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.551 ' C ' ' CE1' ' A' ' 42' ' ' PHE . 1.7 ptpt -142.33 154.94 64.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 166.95 25.94 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.743 2.295 . . . . 0.0 112.318 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.457 ' CB ' ' HB3' ' A' ' 43' ' ' LEU . 54.1 t -79.42 143.26 35.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 -179.961 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.468 ' CD2' ' CG ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.785 0.326 . . . . 0.0 110.953 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -51.57 -29.25 16.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.03 -32.0 73.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -54.5 131.24 63.27 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.6 0.714 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -46.71 1.15 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.641 2.227 . . . . 0.0 112.433 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.448 ' CE3' HD11 ' A' ' 44' ' ' ILE . 11.1 p-90 -66.02 -8.71 24.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.468 ' CG ' ' CD2' ' A' ' 13' ' ' LEU . 12.4 t80 -91.81 119.17 31.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -118.58 18.25 13.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.28 -125.41 10.65 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.12 101.66 8.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.76 0.315 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.1 pt -128.93 165.64 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -88.96 152.5 21.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -46.9 -35.3 6.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.84 -44.35 96.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -67.69 -35.46 78.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.27 -48.17 44.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 32' ' ' LEU . 22.7 mt-10 -51.21 -62.36 1.66 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.2 mttt -43.41 -41.78 4.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -68.38 -34.18 75.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.974 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.414 ' CD1' HG11 ' A' ' 64' ' ' VAL . 8.9 mt -74.46 -56.77 4.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 34' ' ' TYR . 12.9 mt -55.16 -18.82 6.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.437 ' C ' ' O ' ' A' ' 33' ' ' LEU . 7.3 t80 -35.31 148.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.5 m -64.78 -67.23 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -39.33 -33.91 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -84.19 141.76 30.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -132.66 171.6 13.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.5 m -36.88 111.73 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.05 -33.9 2.33 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.436 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.3 120.22 2.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.364 . . . . 0.0 111.11 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.557 ' CE2' HG11 ' A' ' 92' ' ' VAL . 29.7 p90 -127.71 144.24 51.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 pp -152.76 130.7 11.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.448 HD11 ' CE3' ' A' ' 18' ' ' TRP . 3.7 mp -102.14 136.8 32.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.416 ' NH1' ' HB3' ' A' ' 57' ' ' SER . 10.2 ptt-85 -134.28 166.33 23.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -86.36 136.46 33.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.784 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.879 0.371 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -138.98 169.73 17.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.2 m -137.24 131.94 33.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.7 tp -99.11 111.59 23.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.416 ' HB3' ' NH1' ' A' ' 45' ' ' ARG . 1.7 p -108.29 120.38 42.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.457 HG23 ' CD2' ' A' ' 106' ' ' LEU . 15.5 t -124.73 148.93 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.428 HD12 ' C ' ' A' ' 62' ' ' GLY . 7.4 tp -99.37 136.41 39.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.458 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 1.0 OUTLIER -134.81 79.33 1.79 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.834 179.85 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 74.82 25.9 1.41 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.428 ' C ' HD12 ' A' ' 59' ' ' LEU . . . 108.05 -12.27 37.55 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.468 HG12 ' CE ' ' A' ' 65' ' ' LYS . 5.4 p -96.58 127.34 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 111.101 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.414 HG11 ' CD1' ' A' ' 32' ' ' LEU . 83.1 t -94.54 109.48 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.166 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -87.56 111.04 20.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.9 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -83.75 110.54 18.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 92.6 m-85 -106.99 116.09 31.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -70.77 126.76 30.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.6 mt -99.57 101.23 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.482 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 23.7 mtp180 -87.13 142.55 27.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.6 mtp-105 -106.23 155.36 19.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.561 HD13 ' CE1' ' A' ' 78' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.561 ' CE1' HD13 ' A' ' 72' ' ' LEU . 4.4 p90 -151.69 129.38 11.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.448 ' CD1' ' HB3' ' A' ' 67' ' ' TYR . 14.6 tp -89.68 -22.8 22.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 82' ' ' ARG . 6.6 t -144.91 124.48 13.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 81' ' ' ARG . 5.2 mmm180 -41.52 -24.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.443 ' NH2' ' OD2' ' A' ' 100' ' ' ASP . 30.2 mtm180 -62.57 -44.66 95.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.562 ' HE2' ' CE1' ' A' ' 94' ' ' TYR . 37.8 tptt -128.32 145.18 51.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 85' ' ' PHE . 42.0 t -135.09 157.5 40.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.07 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.522 ' CG ' ' HA ' ' A' ' 91' ' ' PHE . 14.9 m-85 -134.68 -174.83 3.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.0 m -113.29 -45.41 3.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 44.6 p -130.49 152.59 49.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.424 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 96.6 mt -45.05 -27.86 0.63 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -62.52 -65.93 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -60.29 -16.49 34.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.0 OUTLIER -70.58 -39.23 73.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.557 HG11 ' CE2' ' A' ' 42' ' ' PHE . 61.1 t -92.65 -33.94 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -56.46 -30.65 63.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.562 ' CE1' ' HE2' ' A' ' 83' ' ' LYS . 87.3 t80 -78.11 -66.49 0.84 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.455 ' O ' ' N ' ' A' ' 97' ' ' THR . 39.6 m-85 -48.89 -43.7 39.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.903 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.442 ' CG2' HG13 ' A' ' 92' ' ' VAL . 1.9 p -41.29 -24.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 95' ' ' TYR . 9.8 p -89.32 -38.15 14.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.166 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 95' ' ' TYR . 6.6 t -150.44 158.75 44.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 101' ' ' GLY . 6.3 p -103.18 39.9 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.866 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.443 ' OD2' ' NH2' ' A' ' 82' ' ' ARG . 4.2 t70 -39.38 96.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 92.16 -42.77 2.71 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.52 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.494 HD21 ' CZ ' ' A' ' 67' ' ' TYR . 2.7 mt -59.25 146.76 38.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 9.0 m -59.95 -37.25 79.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.474 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 2.0 p -141.52 158.39 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.474 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 30.5 ttpt -88.72 136.97 32.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.951 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.457 ' CD2' HG23 ' A' ' 58' ' ' VAL . 18.9 mt -67.06 105.81 1.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -83.39 -66.62 0.87 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -138.05 152.71 72.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.666 0.746 . . . . 0.0 110.835 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 145.85 58.47 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.752 2.301 . . . . 0.0 112.359 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 50.2 t -49.71 157.0 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.934 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.577 HD23 ' CD2' ' A' ' 19' ' ' PHE . 1.7 tt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.852 0.358 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -52.01 -31.15 28.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.6 -29.4 70.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.463 ' CG ' HD22 ' A' ' 13' ' ' LEU . 48.1 mm-40 -54.48 127.6 58.55 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.629 0.728 . . . . 0.0 110.894 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 -47.2 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.754 2.303 . . . . 0.0 112.3 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.493 ' CE3' HD11 ' A' ' 44' ' ' ILE . 13.0 p-90 -64.04 -18.75 64.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.968 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.577 ' CD2' HD23 ' A' ' 13' ' ' LEU . 7.9 t80 -83.72 110.23 18.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -106.12 25.6 10.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 56.27 -126.37 40.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.37 107.43 17.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.341 . . . . 0.0 111.086 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.464 HD11 ' N ' ' A' ' 28' ' ' ALA . 8.6 pt -131.21 178.48 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -104.73 156.12 18.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.527 ' N ' HH21 ' A' ' 45' ' ' ARG . 10.0 ptp180 -47.82 -36.24 11.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.845 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.88 -49.11 69.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -58.8 -39.69 81.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.464 ' N ' HD11 ' A' ' 23' ' ' ILE . . . -75.78 -40.91 54.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -63.44 -43.96 95.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 31' ' ' GLN . 5.6 ptpp? -61.41 -33.04 73.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.479 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 19.1 mm-40 -73.41 -34.34 65.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.943 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.9 mt -77.34 -50.77 12.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 25.2 mt -61.24 -13.4 18.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -44.66 169.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 37' ' ' ASN . 91.6 p -86.5 -62.94 1.4 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.872 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -41.48 -24.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 86.9 m-20 -92.66 159.19 15.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 39' ' ' THR . 8.0 mm100 -151.3 170.33 19.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.957 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 38' ' ' GLN . 96.5 m -34.16 116.89 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.55 -37.23 2.47 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.518 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.19 117.5 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -121.81 157.98 29.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.806 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.427 ' C ' ' CD1' ' A' ' 43' ' ' LEU . 1.1 pp -163.67 131.81 3.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.493 HD11 ' CE3' ' A' ' 18' ' ' TRP . 3.4 mp -98.97 142.1 15.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.527 HH21 ' N ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -136.42 153.54 51.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -74.52 115.75 14.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.0 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.788 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -142.0 157.21 45.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -132.7 135.7 45.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.6 tp -102.17 125.11 48.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.2 m -116.32 112.86 22.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.791 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 59' ' ' LEU . 13.0 t -118.35 137.38 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.473 ' N ' HG12 ' A' ' 58' ' ' VAL . 11.2 tp -84.72 132.88 34.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.494 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 1.7 t70 -135.0 83.93 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 69.92 42.91 0.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.501 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 88.91 -12.63 65.3 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.541 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 60' ' ' ASP . 5.5 p -92.04 153.63 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.888 0.375 . . . . 0.0 111.104 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.4 HG11 ' NE2' ' A' ' 66' ' ' HIS . 61.5 t -115.93 108.36 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.138 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -89.99 107.19 18.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.4 ' NE2' HG11 ' A' ' 64' ' ' VAL . 18.9 m-70 -85.8 110.17 19.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 79.7 m-85 -107.31 116.18 31.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.428 ' NH1' ' HB2' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -68.37 124.16 22.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 64.2 mt -94.48 101.67 12.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 69.4 mtt-85 -84.87 140.85 30.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.547 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 9.6 mtp-105 -107.19 151.24 25.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.493 ' N ' HD21 ' A' ' 72' ' ' LEU . 3.7 mm? . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.547 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 23.2 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.875 0.369 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -150.78 140.24 21.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.469 HD13 ' CB ' ' A' ' 67' ' ' TYR . 12.2 tp -93.97 -13.87 26.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.5 t -152.04 150.91 30.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 81' ' ' ARG . 4.3 mmm180 -74.79 47.0 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -134.99 -30.84 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.501 ' HE3' ' CZ ' ' A' ' 94' ' ' TYR . 1.0 OUTLIER -143.78 138.59 28.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 82.3 t -125.36 140.73 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -110.76 -176.04 2.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.0 m -105.31 -44.71 4.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.805 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 89' ' ' ASN . 56.7 p -141.84 151.42 42.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.479 ' HB3' ' CH2' ' A' ' 18' ' ' TRP . 87.2 mt -39.7 -25.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 87' ' ' THR . 1.9 t-20 -61.34 -69.58 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -56.65 -23.41 41.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 2.5 t80 -61.55 -39.36 90.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.7 t -91.56 -44.7 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -51.27 -24.91 4.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.501 ' CZ ' ' HE3' ' A' ' 83' ' ' LYS . 74.4 t80 -89.96 -64.69 1.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -47.32 -39.97 16.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.2 p -52.7 -32.1 40.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 52.5 p -83.64 -24.99 31.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.157 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.2 t -158.43 138.44 12.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.47 ' N ' ' HG3' ' A' ' 105' ' ' LYS . 14.1 p -67.65 -43.45 80.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.4 t70 60.15 42.61 15.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 108.34 -43.01 1.79 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.425 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.459 HD22 ' CD2' ' A' ' 79' ' ' LEU . 2.6 mt -40.82 131.94 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.745 0.307 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 102' ' ' LEU . 52.0 t -35.32 -39.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.439 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 2.1 p -149.15 156.0 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 99' ' ' SER . 2.6 ttmm -81.5 148.83 29.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 21.6 mt -79.11 107.97 12.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.831 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -85.29 -61.14 1.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -145.99 152.62 48.11 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.59 0.709 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 145.55 57.26 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.706 2.27 . . . . 0.0 112.33 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.4 ' HG ' ' ND2' ' A' ' 37' ' ' ASN . 3.5 t -54.27 168.64 0.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.7 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.918 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.562 HD23 ' CD2' ' A' ' 19' ' ' PHE . 1.4 tt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.791 0.329 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -62.04 -25.95 67.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.954 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.97 -34.68 78.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.064 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -44.66 130.85 5.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.698 0.761 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -40.97 4.6 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.401 ' CE3' HD12 ' A' ' 44' ' ' ILE . 11.1 p-90 -74.06 -14.57 61.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.562 ' CD2' HD23 ' A' ' 13' ' ' LEU . 12.9 t80 -85.76 124.31 32.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 21' ' ' GLY . 3.5 m-85 -124.34 49.71 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 20' ' ' PHE . . . 38.12 -119.83 0.83 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.511 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.19 103.25 8.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.472 ' CG1' ' HD2' ' A' ' 45' ' ' ARG . 9.7 pt -126.41 177.28 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -102.22 149.01 24.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.6 ptt180 -44.39 -33.46 1.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.21 -44.97 90.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.91 -39.77 87.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.456 ' N ' HD12 ' A' ' 23' ' ' ILE . . . -69.8 -47.27 63.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -51.54 -53.13 41.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -51.42 -42.71 61.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -64.14 -36.73 84.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.2 mt -74.29 -59.76 2.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 19.4 mt -51.66 -18.25 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 33' ' ' LEU . 10.9 t80 -36.51 154.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 t -70.97 -63.15 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.403 ' HB2' ' CD1' ' A' ' 111' ' ' LEU . 62.7 mt-10 -43.86 -35.8 2.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.523 ' ND2' ' HG ' ' A' ' 110' ' ' CYS . 83.2 m-20 -79.9 139.27 37.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.813 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 39' ' ' THR . 27.5 mt-30 -130.86 171.54 13.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 38' ' ' GLN . 37.5 m -35.29 116.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.62 -34.34 3.04 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.459 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.23 119.32 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.329 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.562 ' CE2' HG12 ' A' ' 92' ' ' VAL . 21.3 p90 -123.67 153.32 40.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -158.39 129.55 6.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.401 HD12 ' CE3' ' A' ' 18' ' ' TRP . 2.9 mp -99.06 139.44 20.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.472 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 16.5 ptt-85 -141.73 152.21 43.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.84 156.08 37.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.5 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.799 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.836 0.35 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -155.07 148.17 24.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 t -125.85 132.07 52.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.7 tp -95.45 116.52 28.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.7 m -106.53 113.99 27.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.808 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.439 HG23 ' CD2' ' A' ' 106' ' ' LEU . 22.9 t -121.4 152.43 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.121 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.41 ' N ' ' CG1' ' A' ' 58' ' ' VAL . 15.7 tp -98.88 132.53 44.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.965 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.512 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 2.3 t70 -135.03 84.34 2.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 68.07 50.43 0.8 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.499 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 82.34 -12.51 44.96 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.439 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 60' ' ' ASP . 3.3 p -91.62 161.68 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.948 0.404 . . . . 0.0 111.124 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.6 t -123.76 105.98 16.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.571 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -87.42 105.53 17.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.896 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -83.39 110.48 18.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 86.7 m-85 -106.85 113.3 26.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.1 mmm-85 -70.2 126.56 30.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.8 mt -101.3 128.94 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.175 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.418 ' NE ' ' CZ ' ' A' ' 78' ' ' PHE . 2.9 ptm180 -114.78 165.29 12.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.577 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 34.6 mtp180 -125.55 147.24 49.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.564 HD12 ' CE1' ' A' ' 78' ' ' PHE . 1.2 mm? . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.577 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 9.9 m-85 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.884 0.373 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.564 ' CE1' HD12 ' A' ' 72' ' ' LEU . 5.5 p90 -151.87 129.32 11.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.7 tp -88.24 -23.87 23.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.951 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 82' ' ' ARG . 6.7 t -144.65 124.98 13.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.112 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -42.09 -23.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' THR . 60.6 mtt-85 -61.72 -44.08 97.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.556 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 51.5 tptt -130.27 150.13 51.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.449 HG11 ' N ' ' A' ' 85' ' ' PHE . 78.3 t -141.14 144.99 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.113 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.551 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 7.8 m-85 -121.11 -176.74 3.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.0 m -102.58 -50.96 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 75.1 p -129.39 166.14 20.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.088 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 45.0 mt -53.14 -27.2 19.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -62.22 -67.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -58.45 -22.04 53.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.967 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.551 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 1.6 t80 -63.24 -40.73 98.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.562 HG12 ' CE2' ' A' ' 42' ' ' PHE . 99.3 t -92.55 -37.92 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -55.65 -18.11 7.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.556 ' CE2' ' HE2' ' A' ' 83' ' ' LYS . 29.3 t80 -91.94 -64.92 1.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -51.49 -28.71 14.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.61 -21.58 10.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.5 p -88.1 -40.71 13.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.189 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.1 t -149.52 163.56 37.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.471 ' HB3' ' CA ' ' A' ' 105' ' ' LYS . 37.8 p -105.97 37.56 2.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -41.6 97.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.11 -44.29 2.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.5 mt -61.76 150.35 37.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.954 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.2 t -59.6 -38.62 81.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.506 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 2.2 p -139.23 160.72 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.506 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 12.1 ttmt -91.32 127.83 36.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.439 ' CD2' HG23 ' A' ' 58' ' ' VAL . 29.7 mt -58.0 115.25 2.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -94.2 -68.2 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.559 ' C ' ' CE1' ' A' ' 42' ' ' PHE . 31.1 mttp -137.89 152.61 72.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.556 0.693 . . . . 0.0 110.843 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 141.24 44.42 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.654 2.236 . . . . 0.0 112.353 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.523 ' HG ' ' ND2' ' A' ' 37' ' ' ASN . 12.0 t -51.12 146.98 5.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.403 ' CD1' ' HB2' ' A' ' 36' ' ' GLU . 11.7 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.515 HD23 ' CG ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.729 0.299 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -53.02 -21.81 5.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.31 -28.84 62.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.065 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.49 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 78.0 mm-40 -60.03 134.27 90.17 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.675 0.75 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -40.88 4.9 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.388 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.49 ' CZ2' ' HG3' ' A' ' 16' ' ' GLU . 22.2 p-90 -68.51 -11.4 59.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.515 ' CG ' HD23 ' A' ' 13' ' ' LEU . 8.7 t80 -92.07 119.44 31.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -115.65 25.88 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.845 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.42 -117.74 12.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.425 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -121.47 98.48 5.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.2 pt -125.77 172.97 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -99.12 159.23 15.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.428 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 8.8 ptt85 -50.23 -36.12 29.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.428 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -63.53 -42.91 98.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -70.79 -37.94 73.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.9 -38.96 73.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.098 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 32' ' ' LEU . 55.3 mt-10 -63.53 -64.56 0.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -39.8 -29.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -76.19 -40.01 53.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 29' ' ' GLU . 67.7 mt -75.59 -43.56 47.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.35 -13.49 29.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.653 ' CD2' ' CD2' ' A' ' 111' ' ' LEU . 4.8 t80 -45.13 170.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.2 t -88.89 -59.98 2.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -42.87 -27.27 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.792 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -87.58 151.84 22.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.42 ' C ' HD21 ' A' ' 59' ' ' LEU . 2.6 pp0? -133.23 -174.69 3.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.5 m -54.32 106.94 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.232 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.93 -28.71 2.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.541 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.11 115.12 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.861 0.362 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.653 ' CE2' ' CG1' ' A' ' 92' ' ' VAL . 21.9 p90 -120.3 153.31 36.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 pp -163.95 127.82 2.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.464 HD11 ' CE3' ' A' ' 18' ' ' TRP . 3.7 mp -99.15 144.48 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.113 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.6 ptt85 -139.11 160.59 39.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -87.09 119.93 27.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.5 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.774 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -134.8 149.29 50.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 65.6 m -123.83 126.32 46.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.821 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.0 tp -93.15 110.71 22.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.411 ' C ' HD13 ' A' ' 32' ' ' LEU . 1.1 t -102.21 117.18 34.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.409 ' CG1' ' N ' ' A' ' 59' ' ' LEU . 16.4 t -124.15 152.18 29.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.459 HD13 ' CA ' ' A' ' 62' ' ' GLY . 24.5 tp -99.24 132.65 44.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.489 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 3.1 t70 -134.03 82.14 1.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 70.75 42.63 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.459 ' CA ' HD13 ' A' ' 59' ' ' LEU . . . 88.88 -10.64 71.81 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.452 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 60' ' ' ASP . 6.1 p -94.39 154.27 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.339 . . . . 0.0 111.109 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 45.0 t -114.28 110.96 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -91.95 107.08 18.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.898 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -84.26 110.21 18.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 65' ' ' LYS . 67.3 m-85 -108.2 116.01 31.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -69.84 117.17 11.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 44.5 mt -89.13 103.74 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.475 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 27.7 mtm-85 -79.73 146.38 32.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.56 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 12.0 mtp-105 -118.4 149.3 41.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.548 HD13 ' CE1' ' A' ' 78' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.56 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 9.7 m-85 . . . . . 0 CA--C 1.527 0.084 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.548 ' CE1' HD13 ' A' ' 72' ' ' LEU . 7.5 p90 -163.03 129.06 3.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.1 tp -87.03 -15.62 38.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 83' ' ' LYS . 3.1 t -160.47 125.56 3.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 80' ' ' THR . 17.4 mmm180 -33.52 -48.6 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.441 ' HG2' ' CG2' ' A' ' 80' ' ' THR . 0.1 OUTLIER -51.68 -45.18 63.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.54 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 9.7 tptt -113.33 124.82 53.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 99.6 t -134.18 136.43 53.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.467 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 23.2 m-85 -118.99 -174.69 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 m -110.81 -50.16 2.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.2 p -124.75 154.73 40.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.46 HD12 ' CD1' ' A' ' 13' ' ' LEU . 86.9 mt -47.36 -26.76 1.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -63.6 -63.55 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.403 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 10.2 mt-10 -63.03 -10.06 12.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.9 t80 -78.44 -40.87 34.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.653 ' CG1' ' CE2' ' A' ' 42' ' ' PHE . 45.2 t -92.7 -35.72 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -59.72 -18.05 39.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.54 ' CE2' ' HE2' ' A' ' 83' ' ' LYS . 45.3 t80 -92.36 -56.13 3.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.984 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -62.15 -12.78 21.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.3 p -76.45 0.14 20.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.42 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 6.8 p -111.51 -26.33 9.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.0 t -162.35 157.49 22.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.9 p -106.79 59.27 0.63 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -49.96 87.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.809 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 87.11 -43.88 3.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.9 mt -46.51 135.63 8.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.919 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 44.8 t -43.17 -41.03 3.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.507 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 1.6 p -145.47 159.49 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.507 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 20.3 ttpp -92.56 130.16 38.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 18.8 mt -56.58 120.35 7.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -101.14 -66.03 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt -137.27 152.69 73.91 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.547 0.689 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 149.03 66.18 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.701 2.267 . . . . 0.0 112.309 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.5 t -61.48 151.28 33.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.653 ' CD2' ' CD2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.57 HD22 ' CD2' ' A' ' 19' ' ' PHE . 2.0 tt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.74 0.305 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -52.5 -33.04 43.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.81 -32.75 72.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.053 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.461 ' CG ' HD21 ' A' ' 13' ' ' LEU . 27.6 mm-40 -53.92 131.69 58.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.649 0.738 . . . . 0.0 110.862 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -45.35 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.442 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 16.0 p-90 -64.9 -15.14 61.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.99 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.57 ' CD2' HD22 ' A' ' 13' ' ' LEU . 9.2 t80 -87.35 130.29 34.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -129.45 32.58 4.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.33 -120.32 15.44 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.569 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.88 103.55 9.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.707 0.289 . . . . 0.0 111.079 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.429 HD11 ' N ' ' A' ' 28' ' ' ALA . 18.7 pt -129.43 174.42 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -100.92 163.4 12.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 11.3 ptt-85 -53.02 -34.48 56.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.418 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -62.98 -49.59 74.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.418 ' HA ' ' CD ' ' A' ' 30' ' ' LYS . 5.2 m-20 -66.31 -34.9 79.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.429 ' N ' HD11 ' A' ' 23' ' ' ILE . . . -72.88 -40.21 65.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 32' ' ' LEU . 28.5 mt-10 -65.35 -64.62 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.418 ' CD ' ' HA ' ' A' ' 27' ' ' ASP . 9.9 ptmm? -38.34 -33.64 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.428 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 23.8 mm-40 -73.28 -42.81 62.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' GLU . 83.7 mt -71.1 -42.21 69.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.1 -20.47 65.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -40.67 146.61 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 t -63.09 -58.93 5.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.827 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -41.67 -41.02 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 79.3 m-20 -75.38 151.47 38.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.418 ' C ' HD21 ' A' ' 59' ' ' LEU . 42.9 mt-30 -141.33 172.62 12.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.2 m -39.41 115.16 0.47 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.88 -36.47 2.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.37 130.06 4.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.862 0.363 . . . . 0.0 111.081 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.566 ' CE2' ' CG1' ' A' ' 92' ' ' VAL . 21.0 p90 -133.46 156.25 48.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.795 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -162.84 129.51 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.421 HD12 ' CE3' ' A' ' 18' ' ' TRP . 3.5 mp -100.46 148.43 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.1 ptt85 -143.82 169.89 16.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -90.78 130.6 36.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.1 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.784 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 t0 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.805 0.336 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -147.26 153.79 40.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 t -126.39 137.84 53.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.817 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.9 tp -105.9 122.6 46.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.972 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 t -114.0 115.63 27.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.9 t -121.16 149.93 24.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.174 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.418 HD21 ' C ' ' A' ' 38' ' ' GLN . 32.5 tp -96.95 133.18 41.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.505 ' HB3' ' CG1' ' A' ' 63' ' ' VAL . 1.7 t70 -135.02 74.82 1.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.816 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.418 ' HG3' ' C ' ' A' ' 60' ' ' ASP . 16.1 mt-10 75.06 54.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.39 -5.53 50.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.505 ' CG1' ' HB3' ' A' ' 60' ' ' ASP . 6.6 p -97.34 156.82 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.371 . . . . 0.0 111.087 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.405 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 42.1 t -120.62 105.46 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -87.63 109.49 19.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.417 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 89.1 m-70 -87.06 111.72 21.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.808 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 85.2 m-85 -106.6 134.93 48.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -87.38 121.48 29.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.829 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.5 mt -95.56 105.43 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -91.74 144.27 25.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.549 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 32.7 mtp180 -107.85 154.52 21.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.548 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.549 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 24.6 m-85 . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.819 0.342 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.548 ' CE1' HD11 ' A' ' 72' ' ' LEU . 5.6 p90 -153.24 129.18 10.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.0 tp -85.73 -24.45 26.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 81' ' ' ARG . 9.8 t -150.72 123.11 8.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 80' ' ' THR . 11.5 mmm180 -33.48 -45.32 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 82' ' ' ARG . 4.6 mmm180 -37.77 -49.79 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 84' ' ' VAL . 41.6 tptt -129.32 149.04 51.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.47 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 67.9 t -136.53 146.31 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 21.8 m-85 -122.07 178.4 4.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 m -105.42 -50.43 3.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.4 p -126.95 155.62 42.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.157 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.442 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 88.0 mt -47.6 -25.35 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -63.71 -63.26 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -62.86 -18.57 63.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.548 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 1.5 t80 -67.49 -40.99 85.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.566 ' CG1' ' CE2' ' A' ' 42' ' ' PHE . 88.5 t -92.39 -34.89 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -59.76 -18.57 44.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -89.01 -64.61 1.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.437 ' CE1' HD13 ' A' ' 102' ' ' LEU . 36.9 m-85 -49.55 -34.83 18.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.932 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.0 p -49.04 -18.38 0.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.164 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 20.1 p -94.4 -32.23 13.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.0 t -160.32 149.64 17.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.469 ' HB3' ' CA ' ' A' ' 105' ' ' LYS . 61.4 p -92.19 42.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.848 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 99' ' ' SER . 5.6 t70 -36.83 98.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.3 -46.7 3.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.437 HD13 ' CE1' ' A' ' 95' ' ' TYR . 2.4 mt -52.04 145.21 10.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.94 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 55.5 m -55.89 -37.51 68.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.502 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 2.2 p -142.81 160.69 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.502 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 27.4 ttpp -90.79 135.12 33.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.09 112.45 3.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -87.75 -65.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -140.28 152.51 67.14 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.563 0.697 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 110' ' ' CYS . 53.8 Cg_endo -69.76 121.85 8.54 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 109' ' ' PRO . 35.3 t -34.73 150.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.9 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.568 HD23 ' CD2' ' A' ' 19' ' ' PHE . 1.8 tt . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.755 0.312 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -56.12 -26.13 48.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.72 -25.78 64.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.48 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 2.6 mm-40 -58.48 134.37 85.55 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.587 0.708 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -45.23 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.723 2.282 . . . . 0.0 112.291 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.497 ' CH2' ' HB3' ' A' ' 88' ' ' LEU . 25.7 p-90 -66.25 -16.6 64.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CD2' HD23 ' A' ' 13' ' ' LEU . 6.9 t80 -88.3 121.26 30.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -117.82 24.64 10.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.53 -108.32 2.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.3 101.83 5.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.825 0.345 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.7 pt -131.6 163.15 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.26 157.69 18.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.452 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 9.3 ptt180 -50.38 -35.35 27.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.452 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -61.86 -44.07 97.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.2 -37.79 78.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.11 -40.68 78.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 32' ' ' LEU . 27.9 mt-10 -60.86 -64.84 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -39.77 -32.6 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -74.23 -38.86 63.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' GLU . 95.7 mt -74.4 -44.86 50.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.26 -14.52 39.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.925 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.567 ' CD2' HD22 ' A' ' 111' ' ' LEU . 4.1 t80 -45.18 158.24 0.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 36' ' ' GLU . 30.9 t -74.18 -69.39 0.45 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.878 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 35' ' ' SER . 8.0 mm-40 -35.75 -38.88 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -78.13 140.89 39.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -130.31 175.63 8.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.6 m -39.81 114.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.211 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.31 -36.4 2.14 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -40.9 118.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 111.151 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.553 ' CE2' HG12 ' A' ' 92' ' ' VAL . 46.3 p90 -130.38 141.03 50.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.932 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.4 ' HG ' ' OG ' ' A' ' 57' ' ' SER . 3.4 pp -151.61 131.97 13.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.494 HD12 ' CE3' ' A' ' 18' ' ' TRP . 4.4 mp -100.37 135.83 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.3 ptt85 -128.64 158.75 37.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -92.26 127.41 37.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.749 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.419 ' OD2' ' NH1' ' A' ' 71' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.869 0.366 . . . . 0.0 110.809 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.466 ' CE1' HD11 ' A' ' 88' ' ' LEU . 96.1 m-85 -132.97 162.24 32.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.8 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -141.62 122.04 14.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.834 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.9 tp -94.15 120.14 33.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.4 ' OG ' ' HG ' ' A' ' 43' ' ' LEU . 24.8 p -114.4 113.24 24.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 37.9 t -115.22 149.56 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.8 tp -95.75 132.32 41.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.483 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 2.6 t70 -135.04 78.92 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 73.92 49.52 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.95 -6.35 62.85 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.441 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.483 ' CG1' ' O ' ' A' ' 60' ' ' ASP . 5.3 p -97.95 147.23 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 111.069 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.6 t -109.81 108.49 25.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.569 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -89.26 109.31 20.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -85.01 110.31 18.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 87.3 m-85 -106.67 113.44 26.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -67.86 130.21 42.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.3 mt -100.04 101.12 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.187 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.571 ' O ' ' CD2' ' A' ' 78' ' ' PHE . 10.9 mtt85 -87.58 134.67 33.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.419 ' NH1' ' OD2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -104.48 149.07 25.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.56 HD12 ' CE2' ' A' ' 78' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.898 0.38 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.571 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -160.1 131.7 6.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.457 ' CD2' HD23 ' A' ' 102' ' ' LEU . 6.2 tp -89.12 -27.67 20.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.401 ' C ' ' H ' ' A' ' 82' ' ' ARG . 10.9 t -143.84 160.69 40.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -80.06 37.91 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.401 ' H ' ' C ' ' A' ' 80' ' ' THR . 2.0 mmp_? -126.11 -19.61 4.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.568 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 17.2 mmmt -154.09 143.65 21.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 85' ' ' PHE . 90.5 t -133.98 138.82 49.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 47.2 m-85 -120.13 178.8 4.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.2 m -99.03 -54.14 3.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.9 p -124.79 158.95 32.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.106 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.497 ' HB3' ' CH2' ' A' ' 18' ' ' TRP . 52.8 mt -48.75 -23.79 1.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.403 ' OD1' ' ND2' ' A' ' 93' ' ' ASN . 2.2 t-20 -64.7 -65.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -59.62 -19.31 48.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.579 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 0.8 OUTLIER -69.99 -39.64 75.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.553 HG12 ' CE2' ' A' ' 42' ' ' PHE . 94.3 t -92.58 -36.92 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.197 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.403 ' ND2' ' OD1' ' A' ' 89' ' ' ASN . 95.3 m-20 -58.51 -13.42 5.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.568 ' CE2' ' HE2' ' A' ' 83' ' ' LYS . 42.2 t80 -96.26 -69.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.435 ' O ' ' N ' ' A' ' 97' ' ' THR . 15.5 m-85 -44.98 -44.35 9.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.455 ' CG2' HG11 ' A' ' 92' ' ' VAL . 20.0 p -37.85 -30.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 95' ' ' TYR . 17.8 p -80.48 -47.21 14.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.5 t -143.27 149.45 37.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.433 ' HB3' ' CA ' ' A' ' 105' ' ' LYS . 6.3 p -98.43 33.6 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -40.6 101.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 99.87 -47.67 1.29 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.457 HD23 ' CD2' ' A' ' 79' ' ' LEU . 5.1 mt -63.8 151.72 41.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 11.4 t -62.87 -37.56 87.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.468 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 1.6 p -139.29 157.05 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.468 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 10.6 ttmt -88.65 141.49 28.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.545 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 19.6 mt -68.18 102.68 1.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -80.54 -64.62 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -141.72 149.13 52.45 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.611 0.719 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 110' ' ' CYS . 54.3 Cg_endo -69.79 130.85 20.02 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.725 2.283 . . . . 0.0 112.302 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 109' ' ' PRO . 6.2 t -37.65 147.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.567 HD22 ' CD2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.922 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mt . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.771 0.32 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -52.33 -25.88 10.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.14 -27.81 42.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.078 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.446 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 6.9 mm-40 -62.87 128.05 91.47 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.64 0.734 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -43.3 2.8 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.636 2.224 . . . . 0.0 112.363 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.446 ' CZ2' ' HG3' ' A' ' 16' ' ' GLU . 20.3 p-90 -65.64 -13.72 59.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -85.86 119.55 26.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.447 ' O ' ' C ' ' A' ' 21' ' ' GLY . 32.9 m-85 -119.42 50.08 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 20' ' ' PHE . . . 34.69 -122.91 0.49 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.464 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.91 101.99 8.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.721 0.296 . . . . 0.0 111.116 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.421 HD13 ' N ' ' A' ' 28' ' ' ALA . 9.2 pt -127.75 177.36 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.7 mtmm -102.33 154.72 18.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.446 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 8.2 ptt180 -48.32 -34.92 11.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.446 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -64.01 -45.54 88.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -67.6 -36.2 80.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.421 ' N ' HD13 ' A' ' 23' ' ' ILE . . . -73.86 -40.48 63.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 32' ' ' LEU . 9.8 mt-10 -58.97 -66.06 0.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -40.31 -34.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -71.96 -37.69 69.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 29' ' ' GLU . 17.0 mt -75.7 -46.34 31.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.82 -14.08 29.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.574 ' CD2' HD21 ' A' ' 111' ' ' LEU . 4.4 t80 -41.02 156.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.4 t -72.04 -62.49 1.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.466 ' HB2' ' CD2' ' A' ' 111' ' ' LEU . 61.0 mt-10 -43.46 -33.11 1.01 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.846 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -86.48 143.67 27.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -136.4 179.5 6.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.5 m -39.35 117.74 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.18 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.27 -35.11 3.04 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.446 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.27 118.89 2.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.907 0.384 . . . . 0.0 111.074 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.441 ' CE2' HG13 ' A' ' 92' ' ' VAL . 27.4 p90 -121.79 160.61 24.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.408 ' C ' HD12 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -166.29 130.95 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -101.29 140.44 20.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.414 ' NH2' ' ND1' ' A' ' 66' ' ' HIS . 14.1 ptt-85 -142.02 152.11 43.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.2 141.0 49.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.81 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.9 t70 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.792 0.33 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -150.91 146.36 26.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.3 m -123.73 132.61 53.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.1 tp -99.32 107.67 20.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -96.09 120.87 37.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.437 HG23 ' CD2' ' A' ' 106' ' ' LEU . 20.1 t -125.64 150.93 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.196 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.466 HD11 ' CA ' ' A' ' 62' ' ' GLY . 19.3 tp -101.45 133.58 45.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.475 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 0.9 OUTLIER -135.05 79.76 1.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.767 179.873 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 72.92 36.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.466 ' CA ' HD11 ' A' ' 59' ' ' LEU . . . 96.79 -12.68 65.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.492 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.475 ' CG1' ' O ' ' A' ' 60' ' ' ASP . 8.6 p -92.3 141.82 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 0.0 111.097 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 42.5 t -106.72 105.79 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.457 ' CE ' HG13 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -92.26 106.26 18.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.414 ' ND1' ' NH2' ' A' ' 45' ' ' ARG . 26.9 m-70 -83.66 115.73 22.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -106.49 109.74 21.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.462 ' NE ' ' HE ' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -64.95 117.11 7.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.942 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.7 mt -92.53 123.58 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.462 ' HE ' ' NE ' ' A' ' 68' ' ' ARG . 20.4 mmt180 -100.45 165.11 11.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.427 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 6.8 mtm-85 -127.17 150.02 49.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.635 ' CD2' ' CD1' ' A' ' 78' ' ' PHE . 2.6 mm? . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.427 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 38.0 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.887 0.375 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.635 ' CD1' ' CD2' ' A' ' 72' ' ' LEU . 13.6 p90 -154.07 140.14 18.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.4 tp -95.57 -20.21 19.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.488 ' CG2' ' HG2' ' A' ' 82' ' ' ARG . 8.9 t -143.66 140.26 29.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -59.13 -9.47 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.488 ' HG2' ' CG2' ' A' ' 80' ' ' THR . 17.6 ptt180 -104.06 20.68 17.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.515 ' HE3' ' CZ ' ' A' ' 94' ' ' TYR . 1.0 OUTLIER -177.17 110.89 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.471 HG23 ' CB ' ' A' ' 78' ' ' PHE . 87.0 t -121.37 149.38 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.08 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -124.35 -175.39 3.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.0 m -102.13 -56.57 2.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 77.0 p -125.95 162.8 24.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.403 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 93.1 mt -51.65 -24.06 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.448 ' O ' ' CG ' ' A' ' 93' ' ' ASN . 3.6 t-20 -64.74 -65.2 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.402 ' HA ' ' ND2' ' A' ' 93' ' ' ASN . 26.2 mt-10 -60.45 -15.74 29.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.567 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.1 t80 -69.47 -38.79 77.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.441 HG13 ' CE2' ' A' ' 42' ' ' PHE . 88.6 t -92.7 -36.97 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 89' ' ' ASN . 3.3 m-20 -55.09 -26.2 36.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.515 ' CZ ' ' HE3' ' A' ' 83' ' ' LYS . 26.8 t80 -85.7 -63.42 1.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.548 ' CE1' HD13 ' A' ' 102' ' ' LEU . 25.8 m-85 -53.69 -20.79 5.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.425 ' CG2' HG11 ' A' ' 92' ' ' VAL . 1.4 p -65.46 -11.23 41.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.072 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.8 p -96.75 -30.91 12.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.2 t -161.79 161.46 29.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.185 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 101' ' ' GLY . 83.2 p -106.3 45.59 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -38.19 92.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.92 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 86.77 -35.23 3.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.45 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.548 HD13 ' CE1' ' A' ' 95' ' ' TYR . 6.4 mt -59.83 131.55 51.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.3 t -40.69 -43.31 1.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.488 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 2.6 p -141.73 161.13 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.488 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 4.3 ttpm? -92.71 139.67 30.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.437 ' CD2' HG23 ' A' ' 58' ' ' VAL . 22.6 mt -68.41 115.49 7.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -93.53 -72.43 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -132.58 152.36 79.83 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.551 0.691 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 143.67 51.8 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.724 2.283 . . . . 0.0 112.358 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 37.9 t -54.45 128.91 33.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.574 HD21 ' CD2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.569 HD23 ' CD2' ' A' ' 19' ' ' PHE . 1.5 tt . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.756 0.313 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -58.8 -35.24 72.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.65 -28.84 68.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -53.22 130.8 51.5 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 -47.38 0.93 Allowed 'Trans proline' 0 N--CA 1.466 -0.126 0 C-N-CA 122.728 2.286 . . . . 0.0 112.355 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.479 ' CE3' HD11 ' A' ' 44' ' ' ILE . 21.6 p-90 -65.59 -10.5 35.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CD2' HD23 ' A' ' 13' ' ' LEU . 6.3 t80 -91.95 123.96 35.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -121.85 24.9 9.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.75 -120.34 21.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.43 104.75 11.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.815 0.34 . . . . 0.0 111.154 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.2 pt -132.32 172.87 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 mtmm -101.49 155.33 18.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 11.5 ptt180 -48.37 -32.61 7.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.427 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -65.91 -42.66 89.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -71.37 -40.23 70.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.97 -39.79 87.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 32' ' ' LEU . 17.4 mt-10 -60.29 -65.88 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -42.11 -27.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.806 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.415 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 14.3 mm-40 -81.81 -35.9 28.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' GLU . 25.3 mt -77.25 -47.26 20.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 32.2 mt -59.8 -19.53 51.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.575 ' CD2' HD22 ' A' ' 111' ' ' LEU . 5.8 t80 -35.48 145.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' GLU . 3.0 t -59.76 -68.37 0.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.912 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' SER . 73.7 mt-10 -36.2 -42.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 80.4 m-20 -68.53 152.29 45.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -141.57 177.37 8.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.2 m -45.79 108.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.28 -29.33 2.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.2 117.01 1.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 111.11 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.583 ' CE2' ' CG1' ' A' ' 92' ' ' VAL . 15.1 p90 -121.18 155.78 33.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 pp -164.12 127.26 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.479 HD11 ' CE3' ' A' ' 18' ' ' TRP . 4.2 mp -99.6 143.67 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.438 ' N ' HG22 ' A' ' 44' ' ' ILE . 5.5 ptt85 -138.2 166.8 23.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.458 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 17.1 mt-10 -84.92 136.64 33.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.823 -179.757 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.911 0.386 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.458 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 80.5 m-85 -144.85 164.16 31.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.7 t -137.54 130.21 29.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 69' ' ' ILE . 14.5 tp -98.76 117.97 34.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.0 m -110.36 116.89 32.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.786 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 59' ' ' LEU . 52.9 t -118.88 151.75 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.426 ' N ' HG13 ' A' ' 58' ' ' VAL . 28.8 tp -96.51 130.93 43.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.486 ' HB3' ' CG1' ' A' ' 63' ' ' VAL . 0.6 OUTLIER -132.61 82.32 2.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.826 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 70.09 48.37 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.49 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 83.77 -10.4 59.99 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.448 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.508 HG12 ' CE ' ' A' ' 65' ' ' LYS . 4.5 p -90.51 166.39 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.814 0.34 . . . . 0.0 111.129 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.416 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 36.1 t -124.86 103.79 12.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.521 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -87.52 105.52 17.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -84.58 113.52 21.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.521 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 86.6 m-85 -106.55 122.78 47.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.97 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -72.85 129.24 37.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.454 HD12 ' N ' ' A' ' 56' ' ' LEU . 45.2 mt -108.82 106.04 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.437 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 2.0 mpt_? -93.31 155.84 17.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.566 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 15.1 mtp-105 -116.98 150.5 38.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 38.5 m-85 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.822 0.344 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.437 ' CE1' ' HB2' ' A' ' 70' ' ' ARG . 4.9 p90 -155.46 134.21 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.3 tp -95.53 -19.63 19.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.424 ' CG2' ' HB3' ' A' ' 83' ' ' LYS . 5.3 t -143.64 135.47 26.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.186 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -53.66 -23.73 12.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.409 ' NH2' ' HA3' ' A' ' 101' ' ' GLY . 5.7 ptt180 -86.58 14.07 7.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.566 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 33.9 tptt -161.95 156.67 22.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 83' ' ' LYS . 84.5 t -160.79 144.91 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.121 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.451 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 38.7 m-85 -127.44 176.85 7.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 66.4 m -98.46 -46.72 5.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 89' ' ' ASN . 68.2 p -139.73 153.63 47.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.473 ' HB3' ' CH2' ' A' ' 18' ' ' TRP . 84.3 mt -40.43 -25.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.98 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 87' ' ' THR . 1.8 t-20 -61.23 -69.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -57.67 -22.47 46.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.535 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.8 t80 -63.61 -40.54 97.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.583 ' CG1' ' CE2' ' A' ' 42' ' ' PHE . 90.8 t -92.36 -34.5 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.48 ' ND2' ' C ' ' A' ' 93' ' ' ASN . 0.1 OUTLIER -63.9 -14.85 56.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.566 ' CE2' ' HE2' ' A' ' 83' ' ' LYS . 47.6 t80 -89.78 -69.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.524 ' CE1' HD12 ' A' ' 102' ' ' LEU . 31.7 m-85 -47.05 -40.78 15.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.6 p -40.0 -27.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 95' ' ' TYR . 7.5 p -83.36 -40.38 19.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 95' ' ' TYR . 10.0 t -154.26 159.41 41.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.6 p -101.43 34.95 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 99' ' ' SER . 72.9 m-20 -34.99 93.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 96.3 -45.18 1.93 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.55 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.524 HD12 ' CE1' ' A' ' 95' ' ' TYR . 4.6 mt -59.61 144.82 46.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.775 0.322 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.3 t -56.38 -37.48 70.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.467 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 2.2 p -142.75 158.16 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.467 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 30.4 ttpt -90.55 142.37 27.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.3 mt -70.6 110.01 5.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -89.01 -64.74 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -137.26 152.43 73.43 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.626 0.727 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 152.76 69.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.722 2.281 . . . . 0.0 112.315 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 46.5 t -62.39 127.49 31.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.575 HD22 ' CD2' ' A' ' 34' ' ' TYR . 1.2 pp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.439 ' CD2' HD13 ' A' ' 88' ' ' LEU . 6.0 mt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.777 0.322 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -52.76 -18.81 2.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.95 -30.21 21.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.439 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 72.8 mm-40 -55.88 133.03 73.26 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.657 0.741 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.47 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 53.5 Cg_endo -69.78 -41.59 4.13 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.73 2.286 . . . . 0.0 112.317 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.502 ' CE3' HD11 ' A' ' 44' ' ' ILE . 12.1 p-90 -69.29 -18.92 63.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -86.75 119.57 27.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.47 ' CE1' ' O ' ' A' ' 17' ' ' PRO . 23.5 m-85 -121.4 37.55 4.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 44.45 -136.24 5.92 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.458 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.05 104.74 16.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.744 0.307 . . . . 0.0 111.07 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.469 ' CG1' ' HD2' ' A' ' 45' ' ' ARG . 7.9 pt -131.37 166.01 29.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.76 161.97 14.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.504 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -53.81 -28.99 38.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.504 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -66.35 -45.02 81.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.077 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.46 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 5.2 t70 -70.64 -37.67 73.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.436 ' CA ' HD11 ' A' ' 23' ' ' ILE . . . -72.74 -44.71 61.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.167 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -61.4 -56.07 24.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -52.69 -37.85 59.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.499 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 14.3 mm-40 -68.26 -34.9 77.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.1 mt -76.2 -54.77 6.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.475 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 23.5 mt -53.82 -19.68 4.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.455 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 9.7 t80 -35.85 146.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 37' ' ' ASN . 2.4 m -61.88 -66.0 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.893 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -39.78 -28.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 87.9 m-20 -88.67 156.07 19.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 39' ' ' THR . 20.9 pt20 -151.95 176.69 11.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 38' ' ' GLN . 23.4 m -36.69 116.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.05 -33.58 3.65 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.497 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.13 112.26 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.874 0.368 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.55 ' CE2' HG13 ' A' ' 92' ' ' VAL . 29.1 p90 -117.43 161.35 19.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 pp -170.35 129.04 0.86 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.502 HD11 ' CE3' ' A' ' 18' ' ' TRP . 5.2 mp -99.33 139.4 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.469 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 15.9 ptt-85 -138.0 158.48 44.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -72.96 133.97 44.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.6 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.843 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.858 0.361 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -146.0 172.4 13.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.813 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.7 p -144.77 125.32 14.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.893 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.0 tp -93.21 117.54 30.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.6 m -109.71 113.83 26.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.448 ' CG1' ' N ' ' A' ' 59' ' ' LEU . 15.3 t -116.3 154.05 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.162 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.461 HD11 ' CA ' ' A' ' 62' ' ' GLY . 25.2 tp -99.88 132.75 45.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.5 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 1.0 OUTLIER -135.04 84.74 2.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.748 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 67.96 41.37 2.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.475 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 91.59 -14.45 63.96 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.532 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 60' ' ' ASP . 6.0 p -88.69 160.01 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 111.181 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.413 HG12 ' CE1' ' A' ' 66' ' ' HIS . 59.1 t -122.03 107.52 20.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.528 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -90.31 107.64 19.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.891 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.413 ' CE1' HG12 ' A' ' 64' ' ' VAL . 53.5 m-70 -83.4 113.91 21.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.778 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.528 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 83.7 m-85 -110.83 114.69 28.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.5 mmm-85 -64.79 132.33 49.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.429 ' CD1' HG23 ' A' ' 44' ' ' ILE . 64.7 mt -105.18 96.21 4.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.21 154.95 28.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.555 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 35.3 mtp180 -121.07 142.78 49.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.485 HD12 ' CE1' ' A' ' 78' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.555 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 22.4 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.897 0.379 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.485 ' CE1' HD12 ' A' ' 72' ' ' LEU . 3.5 p90 -158.98 132.31 7.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.9 tp -90.44 -27.94 18.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.0 t -144.71 153.0 41.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -64.51 -8.62 14.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -98.06 3.09 49.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.455 ' HD3' ' CZ ' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -154.96 141.02 18.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.955 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 74.0 t -149.72 142.73 17.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.556 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 25.4 m-85 -134.11 170.67 15.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.85 -41.57 7.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.4 p -128.37 158.67 37.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.439 HD13 ' CD2' ' A' ' 13' ' ' LEU . 65.3 mt -55.37 -32.46 62.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.951 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -60.35 -54.51 44.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -68.37 -13.75 62.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.57 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 0.9 OUTLIER -77.35 -37.7 51.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.55 HG13 ' CE2' ' A' ' 42' ' ' PHE . 92.3 t -92.72 -35.56 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -58.88 -22.34 59.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.435 ' CE1' ' HD2' ' A' ' 83' ' ' LYS . 6.8 t80 -88.61 -62.09 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -54.93 -15.47 2.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.989 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.99 -12.44 61.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.17 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.9 p -98.1 -31.45 12.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.117 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.2 t -159.29 152.09 21.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 101' ' ' GLY . 91.0 p -91.5 43.82 1.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 99' ' ' SER . 68.8 m-20 -34.58 94.89 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 84.5 -52.89 4.77 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.559 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.2 mt -41.48 149.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 40.7 t -60.35 -30.54 69.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.491 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 1.5 p -152.25 157.82 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.179 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.491 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 4.9 ttpm? -85.84 143.24 28.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.535 ' HB3' ' CD1' ' A' ' 42' ' ' PHE . 16.0 mt -73.78 106.33 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -80.43 -72.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.4 mtpt -134.17 151.62 76.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.491 0.662 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 142.74 48.42 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.639 2.226 . . . . 0.0 112.379 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 14.1 t -50.06 165.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.911 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.7 m -111.22 158.43 18.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.91 0.386 . . . . 0.0 110.899 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -112.39 -51.6 2.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.24 88.62 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.516 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -113.97 125.6 54.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.363 . . . . 0.0 110.859 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.9 m -148.47 143.5 26.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.16 91.76 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.452 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.57 162.24 32.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.77 0.319 . . . . 0.0 111.041 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -43.19 -60.36 1.7 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -92.54 96.68 10.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.825 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -49.37 -31.38 9.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.4 p -53.19 -38.86 63.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.4 mt -48.44 -28.42 3.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -50.14 -30.89 12.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.13 -32.81 59.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -53.15 131.55 51.03 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.637 0.732 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.493 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 53.7 Cg_endo -69.69 -47.12 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.388 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.498 ' CE3' HD12 ' A' ' 44' ' ' ILE . 22.0 p-90 -65.76 -12.56 54.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.955 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -90.2 128.73 36.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.493 ' CE1' ' O ' ' A' ' 17' ' ' PRO . 3.1 m-85 -131.22 56.37 1.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 20' ' ' PHE . . . 33.99 -123.25 0.41 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.507 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.6 106.94 12.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 111.07 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.9 pt -129.92 175.16 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -102.22 157.87 16.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.467 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 2.4 ptm180 -47.06 -34.56 5.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.467 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -62.79 -52.81 61.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -61.63 -43.23 99.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.04 -43.41 92.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 32' ' ' LEU . 9.9 mt-10 -57.95 -65.79 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -38.21 -33.88 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -73.27 -41.74 63.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' GLU . 95.2 mt -73.41 -50.52 21.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.67 -16.7 6.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -44.21 166.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 36' ' ' GLU . 34.7 t -81.96 -67.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.828 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' SER . 39.1 mt-10 -34.69 -38.81 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -80.67 140.5 35.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -130.55 176.61 8.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.8 m -39.6 113.46 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.13 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.99 -35.2 2.58 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.86 119.62 2.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.87 0.367 . . . . 0.0 111.083 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.542 ' CE2' ' CG1' ' A' ' 92' ' ' VAL . 22.8 p90 -124.35 158.64 32.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.412 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.2 pp -163.13 126.71 2.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.498 HD12 ' CE3' ' A' ' 18' ' ' TRP . 4.7 mp -99.29 137.77 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.459 ' N ' HG23 ' A' ' 44' ' ' ILE . 42.1 ptt85 -131.71 166.64 21.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.451 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 14.0 mt-10 -90.81 116.09 28.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' GLU . 38.5 t -36.32 139.42 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -86.41 -46.58 10.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.8 t -60.71 -47.48 86.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.814 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 -119.69 147.96 43.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -89.05 147.68 24.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.593 ' O ' ' CE1' ' A' ' 54' ' ' PHE . . . 93.9 -48.88 2.25 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.41 ' HA ' ' NH1' ' A' ' 71' ' ' ARG . 0.7 OUTLIER -59.43 153.12 19.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.823 0.344 . . . . 0.0 110.885 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.593 ' CE1' ' O ' ' A' ' 52' ' ' GLY . 90.1 m-85 -130.1 163.21 27.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.9 p -137.1 124.49 21.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.8 tp -93.14 104.12 16.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.7 m -96.27 109.78 22.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.471 HG23 ' CD2' ' A' ' 106' ' ' LEU . 39.5 t -112.93 147.77 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.3 tp -98.52 131.55 44.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.476 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 1.0 OUTLIER -135.07 81.07 1.87 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.789 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 74.3 40.64 0.41 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.13 -7.75 81.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.457 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 60' ' ' ASP . 9.8 p -96.25 141.37 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 111.168 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.8 t -106.15 109.57 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.515 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -91.03 109.95 21.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -84.03 111.11 18.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.515 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 94.5 m-85 -106.6 109.6 21.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.909 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -64.59 113.18 3.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.4 mt -87.46 101.17 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -83.43 159.74 21.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.565 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 6.5 mtm-85 -127.46 151.83 48.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.566 HD13 ' CE1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -103.64 -175.86 2.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -104.48 -16.87 14.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.51 -29.26 7.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -98.54 -116.33 3.65 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.458 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -157.22 -93.83 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.531 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.565 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 31.0 m-85 -121.95 147.57 45.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.91 0.386 . . . . 0.0 110.812 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.566 ' CE1' HD13 ' A' ' 72' ' ' LEU . 7.6 p90 -159.05 129.53 5.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 67' ' ' TYR . 12.4 tp -87.54 -21.8 25.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 81' ' ' ARG . 8.7 t -147.37 118.74 7.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 80' ' ' THR . 2.7 tpt85 -34.4 -39.46 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -45.42 -50.67 12.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.848 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.543 ' HE3' ' CE1' ' A' ' 94' ' ' TYR . 2.1 tppt? -123.47 150.95 43.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.962 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.455 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 74.8 t -141.26 144.71 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.144 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.479 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 34.2 m-85 -119.08 -175.05 2.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.0 m -107.72 -51.06 2.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.5 p -128.78 155.15 45.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.214 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.441 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 90.0 mt -45.83 -25.43 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -63.65 -65.76 0.64 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -61.07 -15.34 31.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.565 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.1 t80 -70.63 -40.39 73.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.542 ' CG1' ' CE2' ' A' ' 42' ' ' PHE . 87.9 t -92.45 -33.76 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -58.32 -25.93 62.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.543 ' CE1' ' HE3' ' A' ' 83' ' ' LYS . 67.2 t80 -82.85 -70.92 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.551 ' CE1' HD13 ' A' ' 102' ' ' LEU . 17.3 m-85 -42.33 -47.88 4.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 95' ' ' TYR . 3.8 p -33.98 -34.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 95' ' ' TYR . 29.3 p -74.81 -49.64 19.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' TYR . 7.9 t -143.88 158.48 43.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 101' ' ' GLY . 10.3 p -101.6 44.9 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.83 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -42.1 95.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.916 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 91.99 -45.73 2.67 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.521 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.551 HD13 ' CE1' ' A' ' 95' ' ' TYR . 2.9 mt -53.75 147.76 11.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.774 0.321 . . . . 0.0 110.897 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 83.0 m -58.92 -36.64 75.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.488 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 2.4 p -142.82 160.14 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.488 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 0.3 OUTLIER -90.5 133.36 35.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.471 ' CD2' HG23 ' A' ' 58' ' ' VAL . 26.7 mt -61.87 111.76 2.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -88.22 -69.27 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -138.32 152.38 71.3 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.554 0.692 . . . . 0.0 110.989 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 142.34 47.44 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.708 2.272 . . . . 0.0 112.357 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 12.3 t -54.0 165.69 0.45 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.1 mt -85.78 170.12 12.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -121.79 95.04 4.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.4 mm -73.8 135.63 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -88.36 132.89 34.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 87.2 t -107.53 -43.89 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.078 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.6 t -149.34 106.91 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 115.22 162.0 13.4 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -174.73 0.96 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.722 2.281 . . . . 0.0 112.38 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.3 t -105.09 148.62 26.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.9 t -165.77 158.2 14.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.432 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 t -91.41 -51.56 5.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.941 0.401 . . . . 0.0 110.834 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.0 m -88.74 107.92 19.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.825 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.98 110.42 1.15 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.427 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.1 p -80.62 133.93 35.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 110.889 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.0 t -144.02 127.06 16.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.924 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.15 179.74 22.56 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.69 94.41 6.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.753 0.311 . . . . 0.0 111.112 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 41.68 39.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.44 61.14 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -79.56 -62.0 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.824 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.7 p -49.21 -24.68 1.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.534 HD22 ' CD2' ' A' ' 19' ' ' PHE . 1.8 tt -49.7 -25.91 3.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.451 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 4.7 pt20 -54.34 -30.35 51.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.451 ' N ' ' HG3' ' A' ' 14' ' ' GLN . . . -63.08 -33.89 76.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.408 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 77.5 mm-40 -52.35 132.71 43.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.662 0.744 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -46.14 1.3 Allowed 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.477 ' CE3' HD13 ' A' ' 44' ' ' ILE . 22.7 p-90 -63.69 -13.77 46.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.961 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.534 ' CD2' HD22 ' A' ' 13' ' ' LEU . 6.3 t80 -89.14 124.03 33.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -122.15 27.79 7.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.15 -117.37 10.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.537 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -120.67 100.53 7.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.858 0.361 . . . . 0.0 111.066 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.461 HD11 ' N ' ' A' ' 28' ' ' ALA . 17.4 pt -127.78 169.31 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.34 153.33 17.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -47.08 -29.85 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.59 -42.47 82.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.19 -38.78 75.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.461 ' N ' HD11 ' A' ' 23' ' ' ILE . . . -72.98 -46.0 54.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.093 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -58.59 -38.15 77.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -63.45 -41.79 98.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.42 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 12.2 mm-40 -69.9 -33.21 71.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.414 HD13 ' C ' ' A' ' 57' ' ' SER . 40.1 mt -74.34 -53.16 10.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 26.0 mt -59.81 -15.02 17.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.569 ' CE1' HD13 ' A' ' 113' ' ' ILE . 3.8 t80 -40.63 158.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.0 t -74.5 -65.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.822 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -38.86 -33.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 84.2 m-20 -81.95 145.98 30.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' THR . 17.8 mt-30 -133.42 170.77 14.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' GLN . 84.1 m -36.45 116.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.15 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.17 -37.15 2.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -42.3 121.07 1.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.792 0.33 . . . . 0.0 111.089 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.605 ' CE2' ' CG1' ' A' ' 92' ' ' VAL . 17.3 p90 -126.51 158.89 34.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.423 ' C ' ' CD1' ' A' ' 43' ' ' LEU . 1.3 pp -166.54 130.94 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.477 HD13 ' CE3' ' A' ' 18' ' ' TRP . 4.2 mp -101.36 140.11 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -135.97 154.01 51.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -76.03 134.45 40.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.0 t -68.64 104.46 1.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -56.62 -32.03 64.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.8 t -60.92 -55.4 33.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.891 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -130.43 113.07 13.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 52' ' ' GLY . 0.8 OUTLIER -56.88 147.04 24.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.438 ' N ' ' HD2' ' A' ' 51' ' ' LYS . . . 102.51 -37.03 3.89 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -78.53 174.82 10.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.84 0.353 . . . . 0.0 110.8 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -148.5 166.29 28.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.5 p -141.65 123.75 15.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.791 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.7 tp -93.79 110.13 21.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.968 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.414 ' C ' HD13 ' A' ' 32' ' ' LEU . 43.9 m -101.79 117.36 34.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.5 ' CG1' ' N ' ' A' ' 59' ' ' LEU . 21.2 t -119.04 157.84 20.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.164 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.5 ' N ' ' CG1' ' A' ' 58' ' ' VAL . 13.9 tp -106.49 132.61 52.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.479 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 1.7 t70 -134.95 86.53 2.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 69.08 33.75 3.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.499 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 97.6 -13.51 64.03 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.479 ' CG1' ' O ' ' A' ' 60' ' ' ASP . 9.8 p -90.48 151.16 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.371 . . . . 0.0 111.129 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.401 HG13 ' CE1' ' A' ' 66' ' ' HIS . 87.4 t -112.92 109.69 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.475 ' CE ' HG13 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -92.0 109.27 20.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.401 ' CE1' HG13 ' A' ' 64' ' ' VAL . 90.9 m-70 -83.93 113.26 20.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 65' ' ' LYS . 89.7 m-85 -106.57 114.3 28.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -65.08 120.54 12.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.8 mt -96.11 97.03 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.2 mtt-85 -84.36 151.99 24.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.557 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 35.7 mtp180 -117.85 144.99 44.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.553 HD13 ' CE2' ' A' ' 78' ' ' PHE . 0.6 OUTLIER -95.76 177.1 5.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -102.39 -6.31 23.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -121.5 -22.87 5.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.24 -119.18 4.3 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -149.12 -95.09 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.448 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.557 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 30.5 m-85 -122.24 146.62 47.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.363 . . . . 0.0 110.92 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.553 ' CE2' HD13 ' A' ' 72' ' ' LEU . 2.4 p90 -156.54 137.28 13.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.451 HD23 ' CB ' ' A' ' 67' ' ' TYR . 8.6 tp -97.47 -12.96 22.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.466 ' O ' ' C ' ' A' ' 81' ' ' ARG . 9.1 t -166.61 125.56 1.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.467 ' HD3' ' CE1' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -33.41 -45.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 81' ' ' ARG . 53.3 mtp85 -35.87 -49.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.83 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.488 ' HE2' ' CD2' ' A' ' 94' ' ' TYR . 47.1 tptt -133.53 148.74 51.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.43 HG11 ' CD2' ' A' ' 72' ' ' LEU . 57.9 t -138.7 141.69 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 8.6 m-85 -120.43 176.25 5.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.1 m -104.55 -47.31 4.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.812 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 69.4 p -127.45 149.8 49.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.448 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 84.4 mt -43.06 -24.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -64.1 -63.44 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -62.78 -12.37 23.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.566 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 1.8 t80 -74.19 -40.28 62.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.605 ' CG1' ' CE2' ' A' ' 42' ' ' PHE . 96.0 t -92.65 -39.81 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.099 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -57.56 -12.85 3.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.488 ' CD2' ' HE2' ' A' ' 83' ' ' LYS . 53.1 t80 -95.02 -66.91 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.439 ' CE1' HD11 ' A' ' 102' ' ' LEU . 26.2 m-85 -51.24 -18.29 0.9 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.958 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.51 -8.12 17.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.204 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.402 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 11.1 p -105.56 -27.77 11.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.6 t -164.35 152.76 12.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 51.3 p -98.4 44.52 1.03 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -40.11 99.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.12 -39.28 3.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.439 HD11 ' CE1' ' A' ' 95' ' ' TYR . 2.7 mt -61.9 145.47 52.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.807 0.337 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 36.8 t -56.65 -38.27 71.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.498 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 2.3 p -141.66 160.78 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.498 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 25.9 ttpt -93.72 129.84 39.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.463 ' CD2' HG21 ' A' ' 58' ' ' VAL . 24.5 mt -56.59 107.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -82.33 -71.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -135.86 152.81 76.51 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.563 0.697 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 135.88 31.45 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.692 2.261 . . . . 0.0 112.355 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.4 t -47.91 144.02 3.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.44 176.68 0.6 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -128.71 98.72 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.943 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.569 HD13 ' CE1' ' A' ' 34' ' ' TYR . 91.6 mt -78.54 143.96 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.441 ' N ' HG22 ' A' ' 113' ' ' ILE . 0.3 OUTLIER -134.28 150.59 51.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.6 m -111.89 -27.64 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 89.1 p -128.84 94.48 3.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 40.1 -154.04 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.5 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 100.88 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.717 2.278 . . . . 0.0 112.412 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.3 m -53.11 155.73 2.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.1 t 44.75 42.6 6.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.568 -179.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.42 -0.272 . . . . 0.0 112.42 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.3 p -96.92 -51.72 4.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 110.894 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 t -132.81 168.84 17.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.43 48.69 0.59 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.5 m -121.73 173.88 7.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 110.85 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -149.32 120.68 7.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.59 -137.31 0.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.17 92.28 2.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.718 0.294 . . . . 0.0 111.089 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 42.6 41.2 2.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -117.43 120.47 38.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 mtm180 -122.54 -54.76 1.86 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.7 p -55.62 -25.21 37.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.556 HD22 ' CD2' ' A' ' 19' ' ' PHE . 2.0 tt -48.15 -25.83 1.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 16.5 pt20 -54.58 -34.59 62.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.421 ' N ' ' HG3' ' A' ' 14' ' ' GLN . . . -60.98 -31.89 71.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.064 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.421 ' CG ' HD21 ' A' ' 13' ' ' LEU . 5.1 mm-40 -50.5 131.04 26.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.667 0.746 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -42.68 3.15 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.475 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 17.2 p-90 -69.85 -10.17 57.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CD2' HD22 ' A' ' 13' ' ' LEU . 8.4 t80 -92.66 115.24 27.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -111.01 28.38 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.73 -118.32 13.53 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.94 102.51 8.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.732 0.301 . . . . 0.0 111.013 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.2 pt -130.22 170.21 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.083 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -96.7 163.95 12.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -54.64 -34.18 61.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.02 -44.36 96.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -71.08 -38.68 72.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.84 -37.94 79.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -68.09 -60.76 2.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -45.16 -32.63 1.91 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -73.84 -39.1 64.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.4 HD12 ' CB ' ' A' ' 57' ' ' SER . 89.3 mt -73.34 -49.94 24.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.469 HD23 ' N ' ' A' ' 33' ' ' LEU . 4.2 mm? -55.35 -23.32 23.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.624 ' CD2' ' CD2' ' A' ' 111' ' ' LEU . 5.7 t80 -36.07 151.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 37' ' ' ASN . 7.5 t -67.02 -64.34 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.86 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -39.74 -28.78 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 35' ' ' SER . 88.8 m-20 -90.31 141.79 28.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 39' ' ' THR . 28.6 mt-30 -136.22 173.74 11.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 38' ' ' GLN . 85.5 m -35.01 111.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.19 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.98 -33.3 2.73 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.51 121.06 3.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 111.113 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.544 ' CE2' HG13 ' A' ' 92' ' ' VAL . 25.8 p90 -127.8 151.7 48.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.417 ' C ' ' CD1' ' A' ' 43' ' ' LEU . 1.3 pp -159.51 130.78 6.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.466 HD13 ' CE3' ' A' ' 18' ' ' TRP . 4.1 mp -102.66 140.25 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.5 ptt85 -134.19 169.5 17.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 47' ' ' SER . 14.9 mt-10 -93.8 119.57 32.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 46' ' ' GLU . 12.8 t -34.96 136.21 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -80.54 -55.76 4.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.8 t -53.89 -56.58 16.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 tp-100 -104.39 157.33 17.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -105.8 122.13 45.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.526 ' O ' ' CE1' ' A' ' 54' ' ' PHE . . . 123.24 -35.56 3.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.33 158.97 34.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.861 0.362 . . . . 0.0 110.847 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.526 ' CE1' ' O ' ' A' ' 52' ' ' GLY . 68.1 m-85 -133.53 147.7 51.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 t -126.09 129.18 48.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 tp -95.78 115.88 28.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.4 ' CB ' HD12 ' A' ' 32' ' ' LEU . 5.2 m -106.34 114.53 28.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.471 HG21 ' CD2' ' A' ' 106' ' ' LEU . 28.0 t -117.5 147.87 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 29.4 tp -96.8 131.19 43.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.457 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 5.1 t70 -135.02 84.49 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 71.44 35.57 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.464 ' O ' ' CD1' ' A' ' 33' ' ' LEU . . . 94.84 -11.39 69.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.422 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.479 HG11 ' CE ' ' A' ' 65' ' ' LYS . 9.1 p -92.99 149.01 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 111.114 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.7 t -111.62 108.99 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -90.85 110.3 21.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -84.71 110.72 18.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 91.1 m-85 -106.49 122.31 46.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.25 134.87 48.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.831 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 63.1 mt -107.95 93.8 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.058 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.575 ' O ' ' CD2' ' A' ' 78' ' ' PHE . 97.9 mtt180 -85.95 133.66 33.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.591 ' CG ' ' CD2' ' A' ' 77' ' ' PHE . 1.0 OUTLIER -108.09 150.37 27.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.464 ' CD2' HG13 ' A' ' 84' ' ' VAL . 0.7 OUTLIER -99.5 179.85 4.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.985 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -105.28 -15.95 14.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -106.85 -21.14 13.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -115.78 -108.52 2.64 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -155.81 -107.62 0.27 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.467 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.591 ' CD2' ' CG ' ' A' ' 71' ' ' ARG . 41.4 m-85 -110.97 164.78 12.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.337 . . . . 0.0 110.903 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.575 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 2.9 p90 -173.25 129.27 0.46 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.966 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.451 HD23 ' CB ' ' A' ' 67' ' ' TYR . 11.5 tp -89.19 -21.47 23.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 81' ' ' ARG . 7.9 t -152.37 126.15 8.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 80' ' ' THR . 16.2 mmm-85 -36.94 -38.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -45.16 -50.17 11.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.449 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 50.2 tptt -124.38 149.87 46.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.464 HG13 ' CD2' ' A' ' 72' ' ' LEU . 57.4 t -140.34 137.94 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.065 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.562 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 14.9 m-85 -116.45 -175.44 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.6 m -106.77 -45.71 4.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 67.5 p -134.8 165.59 24.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.475 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 96.4 mt -52.49 -25.88 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.975 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -63.57 -68.87 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -58.14 -16.89 15.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.562 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 1.6 t80 -68.68 -40.86 79.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.544 HG13 ' CE2' ' A' ' 42' ' ' PHE . 87.9 t -92.63 -41.53 12.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.47 ' ND2' ' C ' ' A' ' 93' ' ' ASN . 0.1 OUTLIER -54.01 -17.63 2.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.449 ' CE2' ' HE2' ' A' ' 83' ' ' LYS . 53.4 t80 -90.61 -66.97 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -52.01 -24.85 7.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.922 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.92 -11.79 2.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.413 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 2.0 p -101.1 -34.71 9.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.6 t -157.57 149.23 21.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.5 p -89.84 36.78 0.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 99' ' ' SER . 21.4 t70 -35.69 95.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 92.53 -40.18 2.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.463 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 99' ' ' SER . 2.7 mt -64.83 144.24 57.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.835 0.35 . . . . 0.0 110.859 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 2.3 t -54.33 -39.31 66.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.466 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 2.3 p -140.1 158.17 25.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.466 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 19.9 ttpt -90.76 137.39 32.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.471 ' CD2' HG21 ' A' ' 58' ' ' VAL . 16.1 mt -65.77 116.84 7.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -94.19 -65.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -137.85 151.58 70.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.655 0.741 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 141.77 45.84 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.306 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 5.7 t -53.05 136.01 36.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.624 ' CD2' ' CD2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -67.4 148.53 51.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -98.31 131.49 44.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.462 HD12 ' CD1' ' A' ' 34' ' ' TYR . 74.3 mt -107.79 141.57 22.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.426 ' N ' ' CD ' ' A' ' 114' ' ' GLN . 1.2 mp0 -65.28 88.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 28.2 m -100.32 36.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.1 m -89.81 -45.38 9.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 153.93 145.09 4.07 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.501 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 172.73 12.16 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.649 2.233 . . . . 0.0 112.345 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.6 p -63.38 -51.18 66.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.9 p -116.09 175.48 5.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 -179.905 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.7 p -110.0 158.76 17.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.92 0.391 . . . . 0.0 110.815 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -122.51 142.47 50.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.65 -120.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -109.15 130.02 55.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 110.849 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 t -51.31 -51.74 51.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.74 158.26 7.79 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -118.47 -54.92 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.679 0.276 . . . . 0.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -53.49 27.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -116.98 130.61 56.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -119.07 -52.31 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.3 p -51.24 -28.33 11.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.513 HD22 ' CD2' ' A' ' 19' ' ' PHE . 1.8 tt -48.25 -27.81 2.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -52.3 -33.64 43.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.94 -33.57 73.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.424 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 58.8 mm-40 -55.84 131.77 72.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.693 0.759 . . . . 0.0 110.818 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -43.42 2.67 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.679 2.253 . . . . 0.0 112.333 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.481 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 22.8 p-90 -65.63 -6.9 12.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.513 ' CD2' HD22 ' A' ' 13' ' ' LEU . 8.6 t80 -97.5 124.66 41.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -125.94 32.04 5.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 56.56 -133.08 51.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.22 101.41 10.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 111.046 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.3 pt -127.56 170.74 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -99.54 176.24 5.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -64.93 -31.05 72.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.72 -43.13 80.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -72.66 -37.04 68.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.51 -45.09 55.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -60.79 -38.92 86.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -65.25 -30.73 71.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.493 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 26.3 mm-40 -79.74 -34.38 40.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.951 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 91.7 mt -76.68 -51.59 11.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.5 mt -57.66 -17.78 16.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.568 ' CD2' HD23 ' A' ' 111' ' ' LEU . 6.4 t80 -39.77 144.48 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' GLU . 4.7 t -58.93 -67.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.853 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.426 ' HB2' ' CD2' ' A' ' 111' ' ' LEU . 36.1 mm-40 -35.8 -38.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 82.8 m-20 -76.67 143.61 39.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -132.24 171.5 13.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.4 m -37.25 115.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.67 -35.46 2.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.526 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -40.65 118.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.783 0.325 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.563 ' CE2' HG12 ' A' ' 92' ' ' VAL . 45.1 p90 -126.3 146.78 49.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 pp -153.07 131.07 11.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.427 HG21 ' N ' ' A' ' 45' ' ' ARG . 3.8 mp -103.43 139.64 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.427 ' N ' HG21 ' A' ' 44' ' ' ILE . 6.7 ptt85 -132.01 172.99 11.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.423 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 18.1 mt-10 -96.47 121.05 37.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 p -43.07 157.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.32 162.68 13.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.6 m 47.2 32.22 2.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -173.29 147.36 1.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -118.33 124.93 48.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 126.25 -44.95 1.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.541 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -72.94 164.29 26.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.85 0.357 . . . . 0.0 110.849 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.423 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 78.5 m-85 -145.62 168.27 21.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 t -138.74 127.47 23.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.5 tp -98.26 114.83 27.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.823 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.6 m -107.91 117.23 33.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.78 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.422 HG23 ' CD2' ' A' ' 106' ' ' LEU . 25.4 t -119.71 144.56 27.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.419 HD11 ' CA ' ' A' ' 62' ' ' GLY . 41.2 tp -96.5 133.96 40.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.458 ' HB3' ' CG1' ' A' ' 63' ' ' VAL . 1.0 OUTLIER -135.1 79.88 1.81 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.789 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 73.51 31.54 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.419 ' CA ' HD11 ' A' ' 59' ' ' LEU . . . 101.44 -8.49 56.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.502 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.476 HG12 ' CE ' ' A' ' 65' ' ' LYS . 11.5 p -98.24 131.47 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 111.185 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 62.0 t -99.55 109.34 24.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.476 ' CE ' HG12 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -92.09 114.35 26.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -88.64 113.1 23.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.53 ' CE1' HD21 ' A' ' 102' ' ' LEU . 83.0 m-85 -106.54 117.76 34.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.5 ttm-85 -67.7 125.41 26.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.81 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.0 mt -100.57 97.78 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.417 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 16.5 mtt85 -83.42 151.84 25.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.56 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 9.6 mtp-105 -116.59 153.3 32.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.561 HD13 ' CE1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -104.42 -175.54 2.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.95 -15.93 14.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.37 -30.3 7.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -101.2 -117.55 4.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.472 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -154.78 -94.19 0.1 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.56 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 46.3 m-85 -118.18 143.64 46.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.862 0.363 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.561 ' CE1' HD13 ' A' ' 72' ' ' LEU . 7.3 p90 -153.41 132.73 12.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.7 tp -89.81 -18.72 25.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.0 t -155.54 131.27 9.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -44.45 -24.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -60.12 -44.09 95.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 84' ' ' VAL . 50.7 tptt -130.51 155.2 46.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.458 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 85.8 t -143.96 146.88 20.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.15 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.556 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 26.7 m-85 -125.08 177.42 6.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.3 m -104.54 -43.56 5.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 57.2 p -135.28 152.28 51.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.133 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.481 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 84.5 mt -43.16 -27.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.81 -64.26 1.01 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -61.66 -21.94 64.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.556 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 4.0 t80 -64.22 -40.06 95.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.563 HG12 ' CE2' ' A' ' 42' ' ' PHE . 85.0 t -92.59 -39.97 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.493 ' ND2' ' C ' ' A' ' 93' ' ' ASN . 0.1 OUTLIER -57.44 -12.2 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -93.72 -68.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.498 ' O ' ' N ' ' A' ' 98' ' ' THR . 30.3 m-85 -45.51 -42.01 10.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.899 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 95' ' ' TYR . 1.5 p -37.42 -33.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.147 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.2 p -79.37 -40.51 30.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 95' ' ' TYR . 13.7 t -151.7 154.06 35.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.4 p -73.49 -27.79 61.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 58.36 26.02 13.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.823 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 114.53 -20.25 15.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.453 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.53 HD21 ' CE1' ' A' ' 67' ' ' TYR . 2.5 mt -61.14 135.25 57.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.783 0.325 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 102' ' ' LEU . 86.7 m -33.39 -41.38 0.08 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.428 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 0.9 OUTLIER -144.65 152.69 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.428 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 27.7 ttpt -87.25 129.16 35.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.422 ' CD2' HG23 ' A' ' 58' ' ' VAL . 24.0 mt -54.92 117.1 3.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.416 ' C ' ' HG2' ' A' ' 108' ' ' LYS . 13.3 mm-40 -96.39 -55.44 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.416 ' HG2' ' C ' ' A' ' 107' ' ' GLU . 9.6 mmtp -149.76 152.74 35.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.583 0.706 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 154.02 68.41 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 15.2 t -65.14 164.83 12.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.568 HD23 ' CD2' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -104.74 157.07 17.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -105.14 138.51 41.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 16.6 mm -71.19 137.66 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 115' ' ' VAL . 41.0 mt-30 -113.31 99.17 7.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 114' ' ' GLN . 0.9 OUTLIER -37.96 142.0 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.9 p -124.07 84.79 2.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.804 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 108.97 -175.21 19.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 119' ' ' SER . 53.5 Cg_endo -69.77 -23.65 30.52 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.37 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 118' ' ' PRO . 6.0 t -34.49 143.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.9 m -142.61 133.57 25.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 t -127.36 129.84 48.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.901 0.381 . . . . 0.0 110.851 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.6 m -59.21 -55.61 32.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.82 -148.79 19.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.456 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 6' ' ' SER . 1.9 t 44.12 42.51 4.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.825 0.345 . . . . 0.0 110.802 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 5' ' ' SER . 13.0 t 35.27 40.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.837 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.24 144.22 0.23 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.522 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.22 131.26 55.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 111.085 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -54.43 -61.32 2.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -77.38 133.11 38.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -128.18 -54.24 1.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -63.6 -13.89 46.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.558 HD21 ' CD2' ' A' ' 19' ' ' PHE . 1.7 tt -57.01 -24.44 53.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 4.9 pt20 -59.69 -30.9 69.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.421 ' N ' ' HG3' ' A' ' 14' ' ' GLN . . . -61.64 -32.02 72.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -51.41 130.77 34.17 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.68 0.752 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.428 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 53.0 Cg_endo -69.83 -44.08 2.24 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.47 ' CE3' HD11 ' A' ' 44' ' ' ILE . 21.5 p-90 -69.72 -11.42 60.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.558 ' CD2' HD21 ' A' ' 13' ' ' LEU . 13.3 t80 -89.79 111.19 22.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.428 ' CE1' ' O ' ' A' ' 17' ' ' PRO . 5.6 m-85 -114.04 41.66 2.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 37.8 -143.87 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.533 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.61 106.96 18.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.464 HD12 ' N ' ' A' ' 28' ' ' ALA . 19.4 pt -134.26 171.71 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -100.52 153.79 19.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -46.36 -30.76 2.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.16 -44.97 86.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -70.88 -39.88 72.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.464 ' N ' HD12 ' A' ' 23' ' ' ILE . . . -69.94 -41.43 74.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 32' ' ' LEU . 20.6 mt-10 -60.81 -68.0 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 29' ' ' GLU . 14.5 mtpp -37.12 -37.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -68.98 -42.83 76.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' GLU . 78.1 mt -71.43 -42.37 68.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.494 ' CD2' ' CG2' ' A' ' 64' ' ' VAL . 4.5 mm? -65.15 -20.31 66.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.439 ' CD1' HD12 ' A' ' 113' ' ' ILE . 4.4 t80 -38.59 154.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.9 m -69.77 -59.11 3.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.837 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -43.99 -37.04 2.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.513 ' ND2' ' HG ' ' A' ' 110' ' ' CYS . 86.2 m-20 -81.8 146.29 29.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.421 ' C ' HD21 ' A' ' 59' ' ' LEU . 18.6 mt-30 -139.34 175.15 9.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 38' ' ' GLN . 67.3 m -36.27 116.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.19 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.53 -36.82 2.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.1 117.02 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.58 ' CE2' ' CG1' ' A' ' 92' ' ' VAL . 35.3 p90 -121.31 159.34 26.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -163.96 133.07 3.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.47 HD11 ' CE3' ' A' ' 18' ' ' TRP . 4.0 mp -104.34 139.4 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.076 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.456 ' CZ ' ' HB2' ' A' ' 57' ' ' SER . 2.9 ptt-85 -136.82 160.65 38.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.559 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 1.9 mp0 -81.91 142.91 32.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.3 t -79.65 88.18 5.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -37.81 -44.52 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.7 t -52.22 -58.6 6.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -128.01 99.19 5.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -46.95 172.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.97 -38.12 2.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.459 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -78.9 173.63 12.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.34 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.559 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 91.4 m-85 -153.29 147.85 26.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.447 ' O ' ' NH1' ' A' ' 45' ' ' ARG . 2.1 t -119.56 132.66 55.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.6 tp -97.66 110.71 23.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -101.21 113.33 26.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.466 HG23 ' CD2' ' A' ' 106' ' ' LEU . 15.2 t -118.67 149.57 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.423 HD12 ' C ' ' A' ' 62' ' ' GLY . 7.2 tp -102.38 134.51 45.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.479 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 0.7 OUTLIER -133.37 84.78 2.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.872 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 71.58 28.7 2.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.423 ' C ' HD12 ' A' ' 59' ' ' LEU . . . 100.93 -3.28 55.71 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.497 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.479 ' CG1' ' O ' ' A' ' 60' ' ' ASP . 10.4 p -99.63 125.54 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.91 0.386 . . . . 0.0 111.095 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.494 ' CG2' ' CD2' ' A' ' 33' ' ' LEU . 17.0 t -88.76 98.11 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.51 ' O ' ' CE1' ' A' ' 67' ' ' TYR . 6.5 mttm -94.39 105.53 17.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.44 ' CE1' HG13 ' A' ' 64' ' ' VAL . 2.4 m-70 -83.82 135.68 34.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.848 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.51 ' CE1' ' O ' ' A' ' 65' ' ' LYS . 47.2 m-85 -126.32 113.95 17.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.448 ' HD3' ' N ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -61.58 139.7 58.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 56.2 mt -118.56 101.8 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -79.44 165.22 23.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -125.72 154.72 42.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.578 HD22 ' CD1' ' A' ' 78' ' ' PHE . 2.9 mm? -95.33 -175.37 3.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.67 -34.97 52.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -65.87 -32.28 73.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.53 31.48 1.97 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.491 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -113.62 141.19 16.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -90.61 139.35 30.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.578 ' CD1' HD22 ' A' ' 72' ' ' LEU . 6.4 p90 -152.05 128.87 10.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.5 tp -85.46 -24.88 27.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.1 t -143.03 136.78 28.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.426 ' HD3' ' CE2' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -55.28 -13.01 1.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -70.19 -27.0 64.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -153.7 144.41 22.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.46 HG11 ' CD2' ' A' ' 72' ' ' LEU . 97.6 t -132.08 137.0 55.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.506 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 31.1 m-85 -108.71 -176.57 3.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.5 m -102.83 -52.84 2.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.0 p -132.13 160.67 35.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.464 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 83.5 mt -46.5 -25.84 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -61.58 -69.2 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.957 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -58.15 -21.96 49.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.506 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 2.9 t80 -63.82 -41.69 97.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.58 ' CG1' ' CE2' ' A' ' 42' ' ' PHE . 92.4 t -92.67 -37.52 8.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.429 ' ND2' ' C ' ' A' ' 93' ' ' ASN . 0.1 OUTLIER -58.64 -22.24 56.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -87.62 -63.74 1.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -48.42 -36.99 15.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -48.96 -30.01 5.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.5 p -86.08 -23.51 26.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.171 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.406 ' N ' ' HD2' ' A' ' 105' ' ' LYS . 9.1 t -161.98 139.88 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.5 p -67.89 -33.02 73.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 39.0 t70 57.33 43.39 23.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.93 -33.24 6.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 103' ' ' CYS . 4.1 mt -48.75 133.0 17.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 102' ' ' LEU . 4.5 m -34.42 -42.26 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.459 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 2.3 p -143.31 158.13 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.082 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.459 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 19.7 ttpp -91.35 125.99 36.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.466 ' CD2' HG23 ' A' ' 58' ' ' VAL . 24.5 mt -52.66 116.66 2.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -93.22 -71.04 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -135.84 152.82 76.56 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.561 0.696 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 140.84 43.81 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.649 2.232 . . . . 0.0 112.363 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.513 ' HG ' ' ND2' ' A' ' 37' ' ' ASN . 8.5 t -52.38 167.59 0.13 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.4 mt -98.42 170.7 8.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -116.53 130.96 57.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.47 HG23 ' N ' ' A' ' 114' ' ' GLN . 71.5 mt -97.7 142.22 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.47 ' N ' HG23 ' A' ' 113' ' ' ILE . 36.0 tt0 -122.72 96.63 5.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 34.6 m -112.4 -15.46 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 50.6 m -114.03 136.17 53.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -86.44 154.11 26.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.85 -24.25 29.49 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.299 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 t -112.82 128.06 56.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.809 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.3 m -97.88 122.45 41.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.825 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.6 p -76.43 157.73 32.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.86 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.0 m -111.88 -46.03 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.6 -93.74 1.68 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.8 p -64.1 151.04 44.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 0.0 110.918 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.0 m -88.44 149.25 23.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.91 77.6 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.541 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -149.01 149.53 31.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.728 0.299 . . . . 0.0 111.115 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.3 mp0 -55.3 -47.03 76.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.68 87.82 7.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -111.9 -68.11 0.95 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.8 p -51.74 -35.67 44.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 mt -49.7 -28.15 5.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -51.61 -17.31 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.56 -28.34 23.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.404 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 41.7 mm-40 -62.22 131.28 93.54 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.628 0.728 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -46.17 1.33 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.442 ' CE3' HD13 ' A' ' 44' ' ' ILE . 23.8 p-90 -62.82 -16.65 59.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -85.91 110.67 19.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.571 ' CE2' ' HG3' ' A' ' 112' ' ' LYS . 7.2 m-85 -110.04 40.91 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 47.42 -122.72 7.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.51 102.19 9.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.702 0.287 . . . . 0.0 111.094 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.44 HD11 ' CB ' ' A' ' 28' ' ' ALA . 9.4 pt -128.72 163.05 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.152 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.3 168.14 14.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -58.59 -35.72 72.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.72 98.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -70.5 -41.78 72.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.44 ' CB ' HD11 ' A' ' 23' ' ' ILE . . . -70.11 -33.68 72.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -70.37 -61.03 1.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -46.56 -40.03 12.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.822 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.487 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 16.1 mm-40 -66.44 -30.68 71.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.415 HD12 ' C ' ' A' ' 58' ' ' VAL . 14.3 mt -80.52 -50.72 9.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.419 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 6.6 mt -59.8 -16.62 29.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.556 ' CD1' HD13 ' A' ' 113' ' ' ILE . 8.5 t80 -36.87 153.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.1 t -68.85 -66.77 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.829 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -40.58 -29.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.945 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 88.6 m-20 -85.63 148.63 25.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.423 ' C ' HD21 ' A' ' 59' ' ' LEU . 6.0 pt20 -138.14 -179.28 5.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.401 ' N ' ' HG3' ' A' ' 38' ' ' GLN . 97.6 m -46.61 113.18 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.02 -35.56 2.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.526 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.33 115.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 0.0 111.105 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.559 ' CE2' HG12 ' A' ' 92' ' ' VAL . 39.5 p90 -119.72 158.38 26.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.458 ' HB3' ' CB ' ' A' ' 110' ' ' CYS . 0.8 OUTLIER -163.94 132.37 3.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.442 HD13 ' CE3' ' A' ' 18' ' ' TRP . 2.9 mp -104.05 148.23 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.064 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.456 ' CZ ' ' HB2' ' A' ' 57' ' ' SER . 6.7 ptt-85 -146.29 164.15 33.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.416 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 27.0 mt-10 -82.28 125.51 31.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.0 m -57.86 112.31 1.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -55.65 163.52 1.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.3 t 57.86 25.33 11.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -165.07 164.91 20.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.1 tptp -131.26 113.75 14.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.419 ' HA3' ' NH1' ' A' ' 71' ' ' ARG . . . 121.07 -44.23 1.4 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.53 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.7 156.68 34.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.352 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.416 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 83.2 m-85 -139.52 163.6 32.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.414 ' O ' ' NH1' ' A' ' 45' ' ' ARG . 67.0 m -135.66 132.85 37.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.892 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.8 tp -99.6 118.81 36.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 45' ' ' ARG . 1.1 t -110.28 115.41 29.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.417 ' CG1' ' N ' ' A' ' 59' ' ' LEU . 24.1 t -121.71 153.11 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.148 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.423 HD21 ' C ' ' A' ' 38' ' ' GLN . 11.6 tp -100.23 129.53 46.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.493 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 4.0 t70 -134.43 85.16 2.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 71.05 50.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.419 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 77.68 -6.49 46.46 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.472 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 60' ' ' ASP . 2.8 p -98.0 156.93 3.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.811 0.339 . . . . 0.0 111.182 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.403 HG13 ' CE1' ' A' ' 66' ' ' HIS . 87.2 t -116.06 108.21 24.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -87.62 105.45 17.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.89 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.403 ' CE1' HG13 ' A' ' 64' ' ' VAL . 92.5 m-70 -83.52 110.44 18.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 81.3 m-85 -107.26 122.37 46.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.929 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -73.07 126.71 30.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 41.4 mt -98.75 103.73 15.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.35 147.42 24.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.561 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 35.2 mtp180 -114.15 152.49 31.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.561 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -101.15 -176.51 3.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.92 -18.68 14.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -107.82 -31.99 7.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -101.8 -120.58 4.71 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -148.17 -99.91 0.23 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.561 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 30.3 m-85 -112.21 151.11 29.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.561 ' CE1' HD11 ' A' ' 72' ' ' LEU . 4.2 p90 -161.07 130.33 4.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.9 tp -91.98 -14.42 29.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 81' ' ' ARG . 1.9 t -153.99 118.46 4.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 80' ' ' THR . 18.1 mmm180 -33.74 -44.9 0.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.529 ' CG ' ' N ' ' A' ' 83' ' ' LYS . 0.4 OUTLIER -42.76 -49.98 5.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.567 ' HE3' ' CE1' ' A' ' 94' ' ' TYR . 3.1 tppt? -118.91 155.32 31.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.465 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 64.3 t -147.53 138.63 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.542 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 23.2 m-85 -115.88 -177.61 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.8 m -110.3 -44.48 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.2 p -131.76 154.59 48.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.9 mt -47.21 -25.61 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -63.32 -61.8 2.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -64.67 -15.13 60.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.551 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.6 t80 -71.21 -40.52 71.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.559 HG12 ' CE2' ' A' ' 42' ' ' PHE . 84.1 t -92.0 -36.21 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -60.46 -13.42 13.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.567 ' CE1' ' HE3' ' A' ' 83' ' ' LYS . 32.6 t80 -93.29 -63.17 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -54.28 -27.57 36.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.54 -14.25 1.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.191 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.2 p -101.95 -29.79 11.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.204 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.2 t -156.87 152.55 26.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.476 ' HB3' ' CA ' ' A' ' 105' ' ' LYS . 88.1 p -102.91 31.79 4.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.826 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 99' ' ' SER . 16.2 m-20 -34.15 102.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.5 -44.77 3.07 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 99' ' ' SER . 3.0 mt -60.05 149.76 31.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.804 0.335 . . . . 0.0 110.899 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 35.8 t -62.25 -36.74 82.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.466 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 2.3 p -141.65 158.33 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.476 ' CA ' ' HB3' ' A' ' 99' ' ' SER . 23.9 ttpt -92.62 128.81 38.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 16.8 mt -57.86 110.66 0.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.007 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -93.94 -53.58 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.43 ' C ' ' CE1' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -144.11 154.8 58.32 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.582 0.706 . . . . 0.0 110.815 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 164.9 32.82 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.732 2.288 . . . . 0.0 112.323 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.458 ' CB ' ' HB3' ' A' ' 43' ' ' LEU . 42.2 t -78.01 150.21 33.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.7 mt -82.33 173.85 11.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.571 ' HG3' ' CE2' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -121.9 136.28 54.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.556 HD13 ' CD1' ' A' ' 34' ' ' TYR . 60.1 mt -101.39 150.49 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.7 104.74 2.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.965 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 116' ' ' SER . 28.9 m -103.02 -39.25 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.187 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 115' ' ' VAL . 65.9 p -34.63 -44.55 0.21 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.787 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 151.52 146.19 4.29 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 96.65 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.659 2.239 . . . . 0.0 112.36 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 26.4 p -117.11 106.34 13.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 68.5 m -84.7 128.52 34.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.428 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -117.83 169.39 9.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 110.841 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.7 m -141.95 167.83 21.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.17 139.67 6.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.505 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.0 m -161.19 146.95 14.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.353 . . . . 0.0 110.85 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -134.67 157.54 46.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.96 120.97 2.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -173.67 164.63 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.066 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -91.3 -57.12 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -77.19 151.25 35.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.5 mtm-85 -126.76 -61.4 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.8 p -52.84 -26.38 14.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.564 HD21 ' CD2' ' A' ' 19' ' ' PHE . 1.5 tt -51.28 -24.69 4.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -55.89 -26.61 48.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.92 -28.62 67.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -53.83 134.48 56.58 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.727 0.775 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HA ' ' NZ ' ' A' ' 112' ' ' LYS . 53.3 Cg_endo -69.81 -46.09 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.741 2.294 . . . . 0.0 112.292 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.492 ' CE3' HD12 ' A' ' 44' ' ' ILE . 21.3 p-90 -69.07 -14.91 63.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.956 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.564 ' CD2' HD21 ' A' ' 13' ' ' LEU . 14.3 t80 -87.53 115.12 24.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -113.68 29.65 7.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.09 -121.2 25.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.7 103.43 10.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.32 . . . . 0.0 111.186 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.5 pt -132.64 163.55 37.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -92.45 161.76 14.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -52.71 -34.46 52.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.99 -46.26 88.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.075 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -69.73 -40.75 76.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.04 -46.59 80.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 32' ' ' LEU . 19.8 mt-10 -56.07 -59.79 4.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -38.94 -39.55 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -70.76 -37.14 73.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' GLU . 59.7 mt -73.59 -51.32 17.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 34' ' ' TYR . 3.9 mm? -58.96 -18.5 34.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.554 ' CE1' HD13 ' A' ' 113' ' ' ILE . 3.7 t80 -36.27 152.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.4 t -72.94 -57.72 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -47.87 -31.48 5.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -84.62 144.04 28.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.422 ' C ' HD21 ' A' ' 59' ' ' LEU . 2.9 pt20 -131.76 -179.44 5.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.2 m -44.54 114.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.78 -32.24 3.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.31 121.45 5.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.767 0.317 . . . . 0.0 111.052 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.579 ' CE2' ' CG1' ' A' ' 92' ' ' VAL . 35.9 p90 -127.18 161.34 28.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 pp -168.25 129.89 1.39 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.492 HD12 ' CE3' ' A' ' 18' ' ' TRP . 4.4 mp -100.01 149.07 6.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 ptt85 -142.73 160.98 39.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -79.55 125.43 29.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.4 t -54.73 102.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.795 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.2 pm0 -55.61 -25.7 40.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 74.3 m -70.67 -53.17 16.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.78 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -132.64 120.85 22.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 52' ' ' GLY . 11.4 tppt? -60.52 154.47 20.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.436 ' N ' ' HG3' ' A' ' 51' ' ' LYS . . . 95.66 -41.07 2.52 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.461 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -76.09 179.9 5.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.777 0.322 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -152.74 156.91 40.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.789 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 m -129.65 123.99 32.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.824 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.5 tp -93.2 121.88 35.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.401 ' C ' HD11 ' A' ' 32' ' ' LEU . 16.8 m -114.06 109.5 18.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 59' ' ' LEU . 46.9 t -113.24 154.64 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.422 HD21 ' C ' ' A' ' 38' ' ' GLN . 22.1 tp -103.09 131.87 49.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.488 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 2.1 t70 -134.78 81.82 1.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 71.14 42.27 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.2 -10.3 73.6 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.447 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' A' ' 60' ' ' ASP . 6.4 p -94.07 150.9 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 111.096 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.453 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 55.0 t -113.14 109.95 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -90.9 107.89 19.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -83.44 110.28 18.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.822 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 83.1 m-85 -107.72 116.37 31.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -69.94 130.88 43.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.2 mt -103.3 99.7 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.444 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 27.6 mtp180 -83.32 152.44 25.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.446 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 8.6 mtp-105 -116.99 151.04 37.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.564 HD12 ' CE1' ' A' ' 78' ' ' PHE . 0.9 OUTLIER -102.78 178.71 4.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.14 -2.33 24.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.779 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -124.79 -24.47 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.2 -105.33 2.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.547 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.11 -94.3 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.446 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 35.4 m-85 -118.06 141.65 48.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.979 0.418 . . . . 0.0 110.848 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.564 ' CE1' HD12 ' A' ' 72' ' ' LEU . 6.4 p90 -153.2 130.87 11.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.6 tp -87.44 -25.45 23.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.5 t -145.77 129.4 17.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.7 tpt85 -46.0 -21.95 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -65.72 -39.75 91.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.575 ' HD2' ' CZ ' ' A' ' 85' ' ' PHE . 6.8 tmtm? -135.37 142.53 45.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.471 ' N ' ' HD3' ' A' ' 83' ' ' LYS . 48.3 t -130.51 154.35 40.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.575 ' CZ ' ' HD2' ' A' ' 83' ' ' LYS . 39.2 m-85 -128.26 179.2 5.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.7 m -102.03 -50.23 3.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 89' ' ' ASN . 68.6 p -133.15 154.32 50.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.197 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.418 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 84.8 mt -42.72 -24.91 0.07 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 87' ' ' THR . 2.5 t-20 -62.59 -67.44 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.916 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -60.72 -14.58 21.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.53 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.9 t80 -71.41 -38.42 71.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.842 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.579 ' CG1' ' CE2' ' A' ' 42' ' ' PHE . 95.1 t -92.78 -37.59 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.124 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.474 ' ND2' ' C ' ' A' ' 93' ' ' ASN . 0.1 OUTLIER -60.67 -9.83 4.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -94.52 -69.19 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.493 ' CE1' HD13 ' A' ' 102' ' ' LEU . 44.1 m-85 -49.98 -27.13 4.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.7 p -52.47 -18.51 1.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.8 p -92.22 -40.16 11.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.7 t -153.12 161.02 42.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 101' ' ' GLY . 24.3 p -103.17 34.0 3.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 99' ' ' SER . 23.6 m-20 -37.12 93.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 97.1 -40.72 2.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.489 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.493 HD13 ' CE1' ' A' ' 95' ' ' TYR . 3.0 mt -66.15 146.21 54.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.347 . . . . 0.0 110.953 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 43.9 t -55.91 -38.84 70.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.469 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 2.3 p -141.09 158.79 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.469 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 18.1 ttpt -91.89 130.52 37.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.2 mt -58.77 115.47 3.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -93.56 -62.72 1.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -143.53 152.51 56.83 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.597 0.713 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 142.91 49.2 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.701 2.267 . . . . 0.0 112.297 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.4 t -49.11 170.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.41 HD23 ' CE2' ' A' ' 34' ' ' TYR . 1.4 pp -117.19 153.68 32.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.406 ' NZ ' ' HA ' ' A' ' 17' ' ' PRO . 1.8 mptt -90.74 130.36 36.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.554 HD13 ' CE1' ' A' ' 34' ' ' TYR . 20.3 mm -59.5 157.41 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.056 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.454 ' N ' HG23 ' A' ' 113' ' ' ILE . 12.3 mt-30 -118.86 105.08 11.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 80.5 t -67.03 -57.15 11.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.186 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 80.7 p -94.51 153.9 17.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 59.82 142.07 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -50.77 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.612 2.208 . . . . 0.0 112.357 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.5 t -172.8 177.96 2.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.8 p -74.4 -55.52 5.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.779 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.45 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.9 m -65.16 114.35 4.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.792 0.33 . . . . 0.0 110.821 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -79.31 88.58 4.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.95 49.77 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.481 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 t -103.4 98.53 8.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.911 0.386 . . . . 0.0 110.833 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -156.25 172.14 18.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.52 96.91 1.63 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -168.84 143.73 3.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.76 0.314 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -50.28 -55.66 14.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.443 ' C ' ' OD1' ' A' ' 10' ' ' ASP . 0.9 OUTLIER -64.26 100.76 0.36 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -126.69 -62.77 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.0 p -60.94 -24.68 66.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.556 HD22 ' CD2' ' A' ' 19' ' ' PHE . 1.6 tt -49.31 -26.41 3.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -56.89 -33.18 66.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.74 -31.36 70.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.459 ' CG ' HD21 ' A' ' 13' ' ' LEU . 67.8 mm-40 -49.16 131.29 16.38 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.722 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -45.49 1.57 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.718 2.279 . . . . 0.0 112.256 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.499 ' CE3' HD11 ' A' ' 44' ' ' ILE . 18.9 p-90 -70.0 -10.08 57.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.967 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CD2' HD22 ' A' ' 13' ' ' LEU . 12.7 t80 -92.31 115.55 28.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.408 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 3.1 m-85 -115.11 40.96 2.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 46.05 -119.79 4.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.41 104.25 11.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 111.108 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.9 pt -131.99 162.55 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.168 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -92.74 161.5 14.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.475 ' HB2' ' CE1' ' A' ' 66' ' ' HIS . 9.9 ptp180 -49.91 -34.4 20.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.49 -48.1 79.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 5.4 m-20 -65.13 -37.28 86.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.39 -38.86 65.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 32' ' ' LEU . 11.9 mt-10 -62.93 -66.81 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -42.34 -32.76 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 15.7 mm-40 -73.49 -36.42 65.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.96 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 29' ' ' GLU . 34.6 mt -76.73 -45.18 30.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.944 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.59 -11.44 24.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -41.06 159.2 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.8 t -72.6 -59.46 2.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -49.78 -37.19 28.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -80.67 146.23 31.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.412 ' C ' HD22 ' A' ' 59' ' ' LEU . 1.3 pt20 -143.73 -177.54 5.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.4 m -38.95 115.39 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.75 -34.92 3.16 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.414 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.26 110.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 111.09 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.583 ' CE2' ' CG1' ' A' ' 92' ' ' VAL . 21.2 p90 -115.19 156.66 24.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.408 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 1.4 pp -166.78 131.1 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.499 HD11 ' CE3' ' A' ' 18' ' ' TRP . 3.7 mp -99.37 150.64 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 ptt85 -145.88 157.86 43.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.443 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 10.1 mt-10 -78.25 137.76 38.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.5 t -68.89 107.0 2.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -56.98 -40.5 76.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.9 t -59.51 -61.67 2.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -119.53 114.08 21.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.9 mtmm -59.03 156.26 12.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.3 -35.31 4.07 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.413 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -84.22 162.7 20.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.875 0.369 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.443 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 44.9 m-85 -138.69 164.5 29.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 t -134.69 130.28 36.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.7 tp -93.13 118.71 31.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.76 107.27 17.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.467 HG21 ' CD2' ' A' ' 106' ' ' LEU . 19.5 t -113.41 137.75 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.07 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.456 HD12 ' CA ' ' A' ' 62' ' ' GLY . 25.0 tp -90.79 133.41 35.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.974 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.481 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 1.1 t70 -134.82 80.47 1.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 72.46 40.33 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.456 ' CA ' HD12 ' A' ' 59' ' ' LEU . . . 92.3 -11.2 72.69 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.481 ' CG1' ' O ' ' A' ' 60' ' ' ASP . 9.7 p -92.5 140.39 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.842 0.353 . . . . 0.0 111.148 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.417 ' CG1' HD11 ' A' ' 32' ' ' LEU . 17.2 t -108.11 106.8 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.163 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.465 ' CE ' HG12 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -90.81 108.14 19.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.929 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.475 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 76.4 m-70 -83.74 111.63 19.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -107.19 109.84 21.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.951 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.51 107.74 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.1 mt -74.03 98.52 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.426 ' CB ' ' CZ ' ' A' ' 78' ' ' PHE . 11.0 mmm180 -73.4 154.09 40.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.566 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 12.8 mtp-105 -129.7 147.89 51.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.54 HD12 ' CE2' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -97.91 179.38 4.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -106.36 -2.49 22.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -126.32 -26.49 3.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.986 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.83 -116.99 4.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.541 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -146.61 -98.96 0.23 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 48.6 m-85 -117.88 156.76 27.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.54 ' CE2' HD12 ' A' ' 72' ' ' LEU . 2.5 p90 -161.99 129.28 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.2 tp -87.26 -21.75 25.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.8 t -147.65 149.9 33.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 20.4 mmm-85 -66.55 -4.8 9.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -99.0 12.45 35.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 84' ' ' VAL . 16.7 tptt -167.54 155.46 9.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.468 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 97.2 t -158.1 143.98 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.408 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 26.0 m-85 -124.24 -174.95 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.9 m -108.28 -39.41 5.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 66.7 p -137.94 154.81 49.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.406 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 94.3 mt -48.91 -26.87 2.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -64.1 -62.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.49 ' HA ' ' ND2' ' A' ' 93' ' ' ASN . 10.0 mt-10 -62.13 -10.08 9.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.591 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 0.4 OUTLIER -80.57 -32.07 36.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.583 ' CG1' ' CE2' ' A' ' 42' ' ' PHE . 89.7 t -92.69 -33.9 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.49 ' ND2' ' HA ' ' A' ' 90' ' ' GLU . 22.7 p30 -66.39 -15.36 63.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.471 ' N ' ' OD1' ' A' ' 93' ' ' ASN . 13.3 t80 -87.74 -49.2 7.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -75.3 -4.05 36.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.12 -17.2 59.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 35.0 p -102.62 -21.15 14.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.5 t -164.98 149.95 9.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.162 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.0 p -87.54 -25.28 23.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.1 p30 43.74 48.72 6.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . 109.95 -48.14 0.97 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 103' ' ' CYS . 3.6 mt -37.66 133.2 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.752 0.311 . . . . 0.0 110.966 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 102' ' ' LEU . 15.7 p -34.19 -39.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.484 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 2.4 p -150.89 159.91 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.484 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 0.2 OUTLIER -90.15 128.83 36.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.467 ' CD2' HG21 ' A' ' 58' ' ' VAL . 21.5 mt -55.47 127.01 27.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -109.92 -67.51 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -136.86 151.12 71.74 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.54 0.686 . . . . 0.0 110.996 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 144.77 55.71 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.404 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 23.7 t -56.7 158.92 4.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.2 mt -86.27 163.57 17.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -117.66 97.25 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.472 HG21 ' N ' ' A' ' 114' ' ' GLN . 58.6 mt -52.38 144.61 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.191 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.472 ' N ' HG21 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -113.54 111.8 22.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -113.52 133.31 59.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.5 t -122.12 45.39 2.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 86.84 -154.41 26.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 119' ' ' SER . 54.6 Cg_endo -69.74 2.76 3.23 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.71 2.273 . . . . 0.0 112.361 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 118' ' ' PRO . 1.3 t -35.12 118.94 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.1 m -142.37 137.05 30.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.793 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.479 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p -130.7 129.78 43.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 110.855 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.1 m -46.41 -59.86 2.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.827 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.76 -163.39 31.73 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.455 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.4 p -83.51 177.43 8.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.882 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.3 p -168.21 121.46 0.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.9 95.82 0.71 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.53 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -172.05 135.72 0.82 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.785 0.326 . . . . 0.0 111.109 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -67.81 -24.07 65.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.52 123.02 47.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -121.44 -61.89 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.7 m -59.94 -17.91 41.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.568 HD22 ' CD2' ' A' ' 19' ' ' PHE . 1.7 tt -61.02 -23.95 65.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -58.62 -27.83 65.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.34 -28.12 65.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.45 ' CG ' HD21 ' A' ' 13' ' ' LEU . 12.2 mm-40 -49.1 133.82 15.59 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.636 0.732 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.402 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 54.1 Cg_endo -69.81 -42.25 3.52 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.7 2.267 . . . . 0.0 112.377 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.484 ' CE3' HD11 ' A' ' 44' ' ' ILE . 14.0 p-90 -73.05 -15.79 61.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CD2' HD22 ' A' ' 13' ' ' LEU . 8.1 t80 -87.02 128.69 35.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.402 ' CE1' ' O ' ' A' ' 17' ' ' PRO . 11.5 m-85 -130.37 38.22 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 49.72 -123.76 14.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.4 103.62 10.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.78 0.324 . . . . 0.0 111.132 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.4 pt -127.32 173.34 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.129 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt -100.37 162.5 12.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.2 ptt-85 -53.05 -32.83 48.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.26 -46.66 69.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -67.92 -30.68 70.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.88 -36.25 25.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -69.04 -48.6 62.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 ptmm? -55.22 -43.61 74.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.425 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 6.0 mm100 -65.95 -32.65 74.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.8 mt -74.47 -55.75 5.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 10.1 mt -54.07 -20.17 6.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.923 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' A' ' 33' ' ' LEU . 9.8 t80 -35.05 152.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 36' ' ' GLU . 2.4 m -65.46 -71.39 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 35' ' ' SER . 35.6 mm-40 -34.16 -38.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 84.1 m-20 -78.56 142.7 37.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.418 ' C ' HD21 ' A' ' 59' ' ' LEU . 2.6 pm0 -136.16 177.64 7.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' GLN . 80.9 m -37.68 116.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.78 -36.76 2.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.11 113.53 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.578 ' CE2' ' CG1' ' A' ' 92' ' ' VAL . 18.0 p90 -120.4 156.08 32.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 pp -166.48 131.48 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.484 HD11 ' CE3' ' A' ' 18' ' ' TRP . 4.1 mp -100.63 143.64 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.18 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 ptt85 -139.42 157.38 45.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -83.15 140.01 32.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -86.06 97.36 10.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.751 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 47' ' ' SER . 13.5 pt-20 -34.83 -36.03 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' SER . 38.5 m -40.24 -63.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.831 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.431 ' CG ' ' N ' ' A' ' 51' ' ' LYS . 30.7 tt0 -132.54 160.33 36.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.431 ' N ' ' CG ' ' A' ' 50' ' ' GLN . 10.1 tmtt? -84.43 134.98 34.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.593 ' O ' ' CE2' ' A' ' 54' ' ' PHE . . . 105.94 -36.54 4.33 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.454 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.422 ' CG ' ' HB3' ' A' ' 47' ' ' SER . 2.8 p30 -60.76 162.66 6.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.813 0.34 . . . . 0.0 110.906 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.593 ' CE2' ' O ' ' A' ' 52' ' ' GLY . 91.3 m-85 -152.18 153.98 34.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.1 m -133.43 125.8 29.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.801 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.455 HD21 ' CD2' ' A' ' 79' ' ' LEU . 10.4 tp -92.89 117.44 30.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.4 m -110.29 109.41 19.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' A' ' 59' ' ' LEU . 19.4 t -113.13 151.81 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.418 HD21 ' C ' ' A' ' 38' ' ' GLN . 25.2 tp -97.15 131.8 43.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.974 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.495 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 1.6 t70 -134.97 82.68 1.97 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.891 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 69.59 44.57 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.495 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 87.54 -11.19 66.78 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.485 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 60' ' ' ASP . 5.1 p -93.46 153.93 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 111.097 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 79.9 t -116.88 107.62 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.087 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.55 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -87.8 109.15 19.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -84.73 110.32 18.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.55 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 89.2 m-85 -106.43 114.84 29.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.1 tpp85 -67.62 120.51 14.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.8 mt -93.05 99.15 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.152 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 2.8 mmp_? -83.44 152.6 24.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.424 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 6.8 mtp-105 -115.61 156.64 25.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -105.41 -178.9 3.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -103.75 -6.16 21.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -125.32 -42.84 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.12 -108.8 0.5 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.523 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -163.91 -97.37 0.12 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.455 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.424 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 42.8 m-85 -115.2 143.01 45.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.563 ' CD1' HD12 ' A' ' 72' ' ' LEU . 7.4 p90 -151.98 131.7 13.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.455 ' CD2' HD21 ' A' ' 56' ' ' LEU . 12.1 tp -91.17 -15.27 29.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.1 t -156.12 125.75 6.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -41.23 -27.48 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -59.14 -45.63 90.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.551 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 49.3 tptt -129.12 147.9 51.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 74.1 t -138.08 153.96 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.508 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 23.7 m-85 -131.42 -177.46 4.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 71.0 m -105.75 -52.16 2.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 52.9 p -123.6 160.55 26.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.192 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.426 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 59.6 mt -52.01 -26.97 11.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -62.72 -59.86 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.816 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.18 -15.32 62.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.3 t80 -71.79 -41.78 67.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.578 ' CG1' ' CE2' ' A' ' 42' ' ' PHE . 96.9 t -91.84 -35.47 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -59.95 -12.45 7.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.551 ' CE2' ' HE2' ' A' ' 83' ' ' LYS . 34.9 t80 -96.04 -58.5 2.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.943 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -61.82 -16.31 48.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.408 ' CG2' HG13 ' A' ' 92' ' ' VAL . 3.2 p -66.56 -16.98 64.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.8 p -92.53 -33.75 14.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.159 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.9 t -155.75 170.54 21.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 79.1 p -111.8 49.25 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -49.61 96.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.11 -44.34 2.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.476 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.419 HD22 ' CZ ' ' A' ' 67' ' ' TYR . 3.0 mt -57.88 149.66 22.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.34 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 55.8 m -60.55 -37.49 81.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.478 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 2.3 p -141.01 159.64 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.478 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 12.2 ttmt -90.25 131.08 36.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 21.6 mt -59.16 116.31 3.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -96.72 -68.65 0.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -137.01 151.22 71.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.549 0.69 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 144.8 55.64 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.723 2.282 . . . . 0.0 112.396 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 43.4 t -60.91 144.12 53.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.1 mt -63.22 151.38 40.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -102.99 88.3 3.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.8 mp -83.56 146.76 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 115' ' ' VAL . 4.3 pt20 -106.61 48.66 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 114' ' ' GLN . 12.5 p 33.76 45.18 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 17.9 t -103.92 103.95 13.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 164.52 139.59 2.67 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 119' ' ' SER . 53.6 Cg_endo -69.78 1.95 3.99 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.678 2.252 . . . . 0.0 112.308 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 118' ' ' PRO . 2.7 m -36.09 126.45 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 41.2 m -53.6 144.65 16.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 -179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -89.47 159.06 17.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 0.0 110.855 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.7 t -52.82 150.2 5.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -90.26 163.37 30.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.542 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 4' ' ' GLY . 75.3 p 36.13 41.37 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.837 0.351 . . . . 0.0 110.868 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -114.46 117.67 31.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.81 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 8' ' ' ALA . . . 151.29 -176.32 29.81 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -35.15 131.38 0.42 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.772 0.32 . . . . 0.0 111.131 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -85.41 77.89 9.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -120.68 119.81 33.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 ptt85 -132.54 -53.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.9 p -50.59 -24.77 3.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.5 HD22 ' CD2' ' A' ' 19' ' ' PHE . 1.8 tt -49.71 -25.57 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 4.9 pt20 -57.17 -32.23 66.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.421 ' N ' ' HG3' ' A' ' 14' ' ' GLN . . . -61.33 -28.46 69.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.403 ' CG ' HD21 ' A' ' 13' ' ' LEU . 62.2 mm-40 -54.6 131.66 64.2 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.615 0.722 . . . . 0.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 -46.95 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.652 2.235 . . . . 0.0 112.329 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.443 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 13.9 p-90 -67.1 -8.39 30.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.5 ' CD2' HD22 ' A' ' 13' ' ' LEU . 9.7 t80 -93.11 112.87 24.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -114.18 30.77 7.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 49.83 -139.78 17.31 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.418 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.51 108.97 20.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.763 0.316 . . . . 0.0 111.094 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.8 pt -138.24 163.67 28.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -94.84 155.8 16.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -47.24 -31.28 3.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.29 -44.04 84.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -68.03 -43.67 78.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.77 -46.99 67.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -58.65 -35.05 71.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -67.38 -41.51 84.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.476 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 19.4 mm-40 -71.51 -32.58 68.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.441 ' CD1' HG22 ' A' ' 64' ' ' VAL . 86.4 mt -76.9 -53.42 7.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 18.2 mt -58.38 -12.87 4.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.439 ' CD1' HD13 ' A' ' 113' ' ' ILE . 8.9 t80 -41.33 158.15 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.1 t -71.0 -60.6 2.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -46.03 -33.16 3.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.486 ' ND2' ' HG ' ' A' ' 110' ' ' CYS . 86.6 m-20 -83.72 149.79 26.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 39' ' ' THR . 8.2 pt20 -146.8 -179.34 6.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 38' ' ' GLN . 85.9 m -35.98 117.36 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.138 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.64 -37.81 2.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -42.32 113.09 0.41 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.79 0.329 . . . . 0.0 111.141 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.574 ' CE2' HG13 ' A' ' 92' ' ' VAL . 24.3 p90 -119.11 162.03 19.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.404 ' C ' HD11 ' A' ' 43' ' ' LEU . 1.0 OUTLIER -171.02 126.83 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.429 HD11 ' CE3' ' A' ' 18' ' ' TRP . 4.0 mp -99.04 137.25 27.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.0 ptt85 -131.63 166.56 21.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.44 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 9.1 mt-10 -87.11 128.11 35.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.7 t -63.42 118.21 7.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -65.2 -47.39 77.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.3 t -46.95 -70.44 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -110.51 105.14 13.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -50.59 147.24 4.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.52 -42.68 1.9 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.502 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.52 173.13 2.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.903 0.383 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.44 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 87.4 m-85 -146.68 147.53 31.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.0 m -122.31 126.7 48.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.4 tp -95.48 112.44 24.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.1 m -105.45 122.22 45.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.42 HG23 ' CD2' ' A' ' 106' ' ' LEU . 16.6 t -127.82 142.92 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.423 HD12 ' C ' ' A' ' 62' ' ' GLY . 49.5 tp -89.97 135.98 33.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.974 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 1.1 t70 -134.94 77.27 1.67 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.814 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 74.98 25.03 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.473 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 110.79 -14.2 29.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.464 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.467 HG12 ' CE ' ' A' ' 65' ' ' LYS . 3.0 p -99.65 130.22 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.118 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.441 HG22 ' CD1' ' A' ' 32' ' ' LEU . 70.8 t -94.23 110.85 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.576 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -87.33 108.08 18.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -83.48 112.18 19.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 88.0 m-85 -106.49 125.68 51.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.4 ttm-85 -72.85 123.74 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 56.9 mt -102.03 98.11 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.451 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 98.3 mtt180 -80.86 156.44 26.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.958 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.488 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 5.2 mtp-105 -120.38 148.94 43.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.519 ' CD1' ' CE1' ' A' ' 78' ' ' PHE . 0.6 OUTLIER -97.9 -178.63 4.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.949 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -108.65 -6.99 15.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -119.94 -22.61 6.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -111.45 -115.34 3.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.452 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -149.86 -94.55 0.12 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.441 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.488 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 32.8 m-85 -120.62 151.07 39.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 0.0 110.887 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.531 ' CE2' ' HD3' ' A' ' 81' ' ' ARG . 7.7 p90 -156.79 130.32 8.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.1 tp -86.7 -24.21 25.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.472 ' CG2' ' HG2' ' A' ' 82' ' ' ARG . 10.0 t -145.77 143.4 29.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.531 ' HD3' ' CE2' ' A' ' 78' ' ' PHE . 18.0 mmt180 -59.55 -13.58 9.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.472 ' HG2' ' CG2' ' A' ' 80' ' ' THR . 3.1 ptp180 -86.12 -0.22 55.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.521 ' HE2' ' CZ ' ' A' ' 94' ' ' TYR . 15.0 mmmt -155.94 161.05 40.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 83' ' ' LYS . 92.7 t -161.0 137.15 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.512 ' CG ' ' HA ' ' A' ' 91' ' ' PHE . 24.0 m-85 -120.16 -177.03 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.1 m -104.42 -52.5 2.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 47.1 p -128.64 155.86 44.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.443 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 84.6 mt -45.18 -26.39 0.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -62.34 -68.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -56.94 -25.85 58.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.559 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.1 t80 -62.33 -38.2 88.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.574 HG13 ' CE2' ' A' ' 42' ' ' PHE . 70.6 t -92.46 -39.91 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.041 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -54.77 -25.32 27.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.521 ' CZ ' ' HE2' ' A' ' 83' ' ' LYS . 33.7 t80 -80.02 -60.26 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.43 ' O ' ' N ' ' A' ' 98' ' ' THR . 43.5 m-85 -54.85 -43.03 72.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.8 p -42.13 -25.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.12 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 95' ' ' TYR . 11.9 p -89.16 -37.44 15.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 95' ' ' TYR . 13.3 t -152.2 145.3 24.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 89.0 p -68.13 -31.83 71.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.828 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.3 t0 60.47 29.06 18.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 109.36 -28.18 11.33 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.548 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 103' ' ' CYS . 2.7 mt -49.88 135.19 20.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.339 . . . . 0.0 110.874 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 102' ' ' LEU . 42.4 t -33.89 -39.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.453 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 1.4 p -149.25 155.12 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.453 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 32.6 ttpt -87.73 132.16 34.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.42 ' CD2' HG23 ' A' ' 58' ' ' VAL . 26.7 mt -60.14 106.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.949 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.13 -70.79 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -135.22 152.33 76.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.531 0.682 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 151.89 69.2 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.703 2.269 . . . . 0.0 112.311 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.486 ' HG ' ' ND2' ' A' ' 37' ' ' ASN . 11.1 t -60.52 166.34 3.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 14.5 mt -99.38 172.14 7.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -114.06 118.2 33.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.439 HD13 ' CD1' ' A' ' 34' ' ' TYR . 55.4 mt -83.67 145.48 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.424 ' N ' HG23 ' A' ' 113' ' ' ILE . 82.0 mt-30 -108.37 94.34 5.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.4 m -99.29 150.75 5.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 40.0 t -145.08 152.05 39.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 68.17 93.09 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.524 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 88.04 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.612 2.208 . . . . 0.0 112.394 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.2 m -155.95 167.11 31.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.8 t -84.23 -50.66 7.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.411 -0.276 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t -98.84 -57.47 2.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.889 0.376 . . . . 0.0 110.863 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -52.88 -56.87 12.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.883 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.03 134.28 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m -96.76 155.76 16.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.966 0.413 . . . . 0.0 110.9 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 t -83.06 79.89 9.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.02 90.19 1.93 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.27 145.68 25.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.712 0.291 . . . . 0.0 111.081 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.4 ' OE2' ' OE2' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -59.95 -31.96 70.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.408 ' CG ' ' CZ ' ' A' ' 19' ' ' PHE . 14.7 m-20 -91.18 37.91 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.826 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -44.72 -71.2 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.0 m -75.05 -20.62 59.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 mt -70.09 -28.86 65.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -54.43 -21.2 9.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.48 -29.85 23.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.075 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -55.31 129.72 68.68 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.666 0.746 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -40.83 4.83 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.475 ' CE3' HD13 ' A' ' 44' ' ' ILE . 21.5 p-90 -69.25 -15.41 63.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.408 ' CZ ' ' CG ' ' A' ' 10' ' ' ASP . 19.2 t80 -86.63 128.19 34.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.802 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -129.18 42.66 3.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 44.27 -123.36 4.95 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.03 100.87 8.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.709 0.29 . . . . 0.0 111.051 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.9 pt -129.25 162.85 35.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -92.14 154.62 18.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.947 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -47.16 -28.35 1.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.4 -47.42 67.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -68.96 -31.96 71.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.71 -41.63 30.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.053 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -59.62 -59.19 5.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -45.85 -33.04 2.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.447 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 19.3 mm-40 -73.87 -38.14 64.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.3 mt -74.98 -53.49 8.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 20.3 mt -55.87 -13.87 2.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.513 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 9.5 t80 -43.94 168.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 37' ' ' ASN . 95.6 p -82.54 -66.62 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.821 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -38.81 -26.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 35' ' ' SER . 92.0 m-20 -88.87 144.95 25.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.412 ' C ' HD22 ' A' ' 59' ' ' LEU . 9.8 pt20 -132.42 178.45 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.2 m -46.86 110.19 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.68 -33.52 2.4 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.455 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.89 120.19 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 111.092 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.561 ' CE2' HG12 ' A' ' 92' ' ' VAL . 39.0 p90 -125.16 151.23 46.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.457 ' HB3' ' CB ' ' A' ' 110' ' ' CYS . 0.6 OUTLIER -155.98 134.6 11.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.475 HD13 ' CE3' ' A' ' 18' ' ' TRP . 2.9 mp -104.65 148.65 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.07 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.456 ' CZ ' ' HB2' ' A' ' 57' ' ' SER . 2.5 ptt-85 -145.59 164.4 31.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.539 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 24.6 mt-10 -87.68 139.26 30.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 t -52.25 140.18 22.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -80.99 -51.91 8.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.4 t -90.52 32.73 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -168.51 159.6 10.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -121.75 123.74 42.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.425 ' O ' ' CE1' ' A' ' 54' ' ' PHE . . . 112.24 -41.62 2.18 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.507 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.484 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 4.1 m-20 -65.24 176.62 1.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.539 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 71.8 m-85 -154.98 158.26 38.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.451 ' O ' ' NH1' ' A' ' 45' ' ' ARG . 62.7 m -129.54 134.94 48.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.838 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 tp -101.94 107.5 18.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -97.77 116.37 29.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.1 t -121.3 151.58 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.412 HD22 ' C ' ' A' ' 38' ' ' GLN . 16.9 tp -102.83 131.03 50.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.489 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 3.6 t70 -134.96 86.89 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 68.57 34.35 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.5 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 97.28 -14.35 63.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.546 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 60' ' ' ASP . 9.8 p -90.01 152.77 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.924 0.392 . . . . 0.0 111.118 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.5 t -116.93 107.17 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.197 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.476 ' CE ' HG12 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -90.39 109.83 20.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -83.25 114.88 21.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.568 ' CE1' HD23 ' A' ' 102' ' ' LEU . 93.4 m-85 -106.46 119.09 38.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -68.69 115.28 7.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 44.8 mt -87.76 96.22 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.158 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.422 ' CB ' ' CZ ' ' A' ' 78' ' ' PHE . 12.3 mmm-85 -73.46 156.11 38.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.572 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 12.0 mtp-105 -131.33 148.9 52.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.493 ' CD1' ' CE2' ' A' ' 78' ' ' PHE . 0.3 OUTLIER -100.49 -178.91 3.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -106.51 -7.59 17.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -123.6 -25.53 4.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -102.51 -120.89 4.81 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -143.84 -99.28 0.29 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.457 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.572 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 28.3 m-85 -122.82 155.99 35.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.347 . . . . 0.0 110.902 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.493 ' CE2' ' CD1' ' A' ' 72' ' ' LEU . 2.9 p90 -160.56 129.17 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.8 tp -87.11 -14.85 40.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 82' ' ' ARG . 9.6 t -154.98 125.55 6.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -42.45 -23.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 80' ' ' THR . 10.4 mmm180 -65.88 -45.24 82.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -123.18 149.77 44.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.438 HG21 ' CB ' ' A' ' 78' ' ' PHE . 73.0 t -141.53 148.99 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.081 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.429 ' CG ' ' HA ' ' A' ' 91' ' ' PHE . 15.1 m-85 -124.87 -177.02 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.9 m -106.19 -49.03 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.81 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 66.4 p -133.19 154.43 50.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.129 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.0 mt -44.24 -27.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.912 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.417 ' OD1' ' ND2' ' A' ' 93' ' ' ASN . 2.3 t-20 -60.41 -65.35 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -61.0 -22.55 64.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.463 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 4.4 t80 -62.92 -40.46 97.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.561 HG12 ' CE2' ' A' ' 42' ' ' PHE . 94.0 t -92.0 -39.28 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.417 ' ND2' ' OD1' ' A' ' 89' ' ' ASN . 79.4 m-20 -57.28 -17.77 13.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -87.0 -63.78 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.45 ' CD2' ' O ' ' A' ' 91' ' ' PHE . 47.2 m-85 -47.39 -42.97 23.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.8 p -42.01 -24.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.203 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 95' ' ' TYR . 4.8 p -90.87 -36.27 14.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 95' ' ' TYR . 7.4 t -156.3 130.58 8.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.1 p -49.11 -45.37 43.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.5 t70 70.45 48.32 0.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.0 2.49 86.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.568 HD23 ' CE1' ' A' ' 67' ' ' TYR . 3.4 mt -85.39 134.37 34.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 102' ' ' LEU . 35.8 t -34.03 -41.48 0.1 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.416 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 1.6 p -146.46 153.48 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.188 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.416 ' HD2' ' C ' ' A' ' 97' ' ' THR . 20.7 ttpt -87.53 126.91 35.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 18.5 mt -54.98 115.97 2.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -99.17 -55.01 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.551 ' C ' ' CE1' ' A' ' 42' ' ' PHE . 1.7 ptpt -142.33 154.94 64.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 166.95 25.94 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.743 2.295 . . . . 0.0 112.318 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.457 ' CB ' ' HB3' ' A' ' 43' ' ' LEU . 54.1 t -79.42 143.26 35.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.7 mt -72.4 157.62 37.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -117.98 108.52 15.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.513 HD11 ' CZ ' ' A' ' 34' ' ' TYR . 21.2 mm -78.41 140.93 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.234 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -122.3 137.54 54.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 16.3 m -90.49 -25.0 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.7 t -111.53 -63.47 1.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 121.85 -158.22 16.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.513 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 107.18 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.665 2.243 . . . . 0.0 112.365 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 58.2 p -120.4 171.2 8.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.824 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 t -121.43 151.77 39.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.472 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.2 p 38.66 42.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.7 p -108.68 89.51 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.08 126.91 0.3 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.456 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.0 t -96.32 133.26 40.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.896 0.379 . . . . 0.0 110.806 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 7' ' ' GLY . 4.2 m -90.04 80.12 6.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.91 90.11 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.447 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -142.58 126.54 17.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.733 0.301 . . . . 0.0 111.156 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -85.78 47.26 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -146.42 135.51 22.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.77 -20.0 5.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.14 -27.91 14.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.468 ' CD2' ' CG ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -54.34 -28.46 42.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.953 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -51.57 -29.25 16.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.03 -32.0 73.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -54.5 131.24 63.27 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.6 0.714 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HA ' ' NZ ' ' A' ' 112' ' ' LYS . 54.2 Cg_endo -69.69 -46.71 1.15 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.641 2.227 . . . . 0.0 112.433 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.448 ' CE3' HD11 ' A' ' 44' ' ' ILE . 11.1 p-90 -66.02 -8.71 24.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.468 ' CG ' ' CD2' ' A' ' 13' ' ' LEU . 12.4 t80 -91.81 119.17 31.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -118.58 18.25 13.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.28 -125.41 10.65 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.12 101.66 8.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.76 0.315 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.1 pt -128.93 165.64 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -88.96 152.5 21.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -46.9 -35.3 6.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.84 -44.35 96.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -67.69 -35.46 78.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.27 -48.17 44.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 32' ' ' LEU . 22.7 mt-10 -51.21 -62.36 1.66 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.2 mttt -43.41 -41.78 4.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -68.38 -34.18 75.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.974 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.414 ' CD1' HG11 ' A' ' 64' ' ' VAL . 8.9 mt -74.46 -56.77 4.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 34' ' ' TYR . 12.9 mt -55.16 -18.82 6.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.477 ' CE1' HG12 ' A' ' 113' ' ' ILE . 7.3 t80 -35.31 148.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.5 m -64.78 -67.23 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -39.33 -33.91 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -84.19 141.76 30.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -132.66 171.6 13.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.5 m -36.88 111.73 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.05 -33.9 2.33 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.436 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.3 120.22 2.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.364 . . . . 0.0 111.11 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.557 ' CE2' HG11 ' A' ' 92' ' ' VAL . 29.7 p90 -127.71 144.24 51.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 pp -152.76 130.7 11.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.448 HD11 ' CE3' ' A' ' 18' ' ' TRP . 3.7 mp -102.14 136.8 32.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.416 ' NH1' ' HB3' ' A' ' 57' ' ' SER . 10.2 ptt-85 -134.28 166.33 23.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -86.36 136.46 33.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.3 t -77.97 112.87 15.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -45.0 169.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.9 p 40.64 34.82 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -169.48 135.0 1.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -110.58 130.33 55.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.468 ' O ' ' CE1' ' A' ' 54' ' ' PHE . . . 101.44 -32.52 7.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -75.79 148.32 38.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 0.0 110.81 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' A' ' 52' ' ' GLY . 93.0 m-85 -138.98 169.73 17.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.2 m -137.24 131.94 33.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.7 tp -99.11 111.59 23.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.416 ' HB3' ' NH1' ' A' ' 45' ' ' ARG . 1.7 p -108.29 120.38 42.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.457 HG23 ' CD2' ' A' ' 106' ' ' LEU . 15.5 t -124.73 148.93 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.428 HD12 ' C ' ' A' ' 62' ' ' GLY . 7.4 tp -99.37 136.41 39.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.458 ' CG ' ' O ' ' A' ' 60' ' ' ASP . 1.0 OUTLIER -134.81 79.33 1.79 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.834 179.85 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 74.82 25.9 1.41 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.428 ' C ' HD12 ' A' ' 59' ' ' LEU . . . 108.05 -12.27 37.55 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.468 HG12 ' CE ' ' A' ' 65' ' ' LYS . 5.4 p -96.58 127.34 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 111.101 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.414 HG11 ' CD1' ' A' ' 32' ' ' LEU . 83.1 t -94.54 109.48 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.166 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -87.56 111.04 20.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.9 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -83.75 110.54 18.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 92.6 m-85 -106.99 116.09 31.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -70.77 126.76 30.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.6 mt -99.57 101.23 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.482 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 23.7 mtp180 -87.13 142.55 27.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.6 mtp-105 -106.23 155.36 19.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.561 HD13 ' CE1' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -105.97 -177.38 3.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -102.84 -10.73 18.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -119.3 -42.8 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.59 -117.19 0.75 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.522 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -156.34 -99.47 0.16 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -113.31 139.59 48.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.561 ' CE1' HD13 ' A' ' 72' ' ' LEU . 4.4 p90 -151.69 129.38 11.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.448 ' CD1' ' HB3' ' A' ' 67' ' ' TYR . 14.6 tp -89.68 -22.8 22.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 82' ' ' ARG . 6.6 t -144.91 124.48 13.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 81' ' ' ARG . 5.2 mmm180 -41.52 -24.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.443 ' NH2' ' OD2' ' A' ' 100' ' ' ASP . 30.2 mtm180 -62.57 -44.66 95.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.562 ' HE2' ' CE1' ' A' ' 94' ' ' TYR . 37.8 tptt -128.32 145.18 51.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 85' ' ' PHE . 42.0 t -135.09 157.5 40.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.07 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.522 ' CG ' ' HA ' ' A' ' 91' ' ' PHE . 14.9 m-85 -134.68 -174.83 3.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.0 m -113.29 -45.41 3.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 44.6 p -130.49 152.59 49.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.424 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 96.6 mt -45.05 -27.86 0.63 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -62.52 -65.93 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -60.29 -16.49 34.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.0 OUTLIER -70.58 -39.23 73.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.557 HG11 ' CE2' ' A' ' 42' ' ' PHE . 61.1 t -92.65 -33.94 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -56.46 -30.65 63.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.562 ' CE1' ' HE2' ' A' ' 83' ' ' LYS . 87.3 t80 -78.11 -66.49 0.84 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.455 ' O ' ' N ' ' A' ' 97' ' ' THR . 39.6 m-85 -48.89 -43.7 39.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.903 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.442 ' CG2' HG13 ' A' ' 92' ' ' VAL . 1.9 p -41.29 -24.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 95' ' ' TYR . 9.8 p -89.32 -38.15 14.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.166 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 95' ' ' TYR . 6.6 t -150.44 158.75 44.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 101' ' ' GLY . 6.3 p -103.18 39.9 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.866 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.443 ' OD2' ' NH2' ' A' ' 82' ' ' ARG . 4.2 t70 -39.38 96.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 92.16 -42.77 2.71 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.52 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.494 HD21 ' CZ ' ' A' ' 67' ' ' TYR . 2.7 mt -59.25 146.76 38.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 9.0 m -59.95 -37.25 79.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.474 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 2.0 p -141.52 158.39 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.474 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 30.5 ttpt -88.72 136.97 32.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.951 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.457 ' CD2' HG23 ' A' ' 58' ' ' VAL . 18.9 mt -67.06 105.81 1.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -83.39 -66.62 0.87 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -138.05 152.71 72.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.666 0.746 . . . . 0.0 110.835 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 145.85 58.47 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.752 2.301 . . . . 0.0 112.359 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 50.2 t -49.71 157.0 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.8 mt -93.72 173.35 7.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.406 ' NZ ' ' HA ' ' A' ' 17' ' ' PRO . 2.0 mptt -121.07 120.75 36.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.477 HG12 ' CE1' ' A' ' 34' ' ' TYR . 5.0 mp -80.39 152.06 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.453 ' N ' HG22 ' A' ' 113' ' ' ILE . 64.1 tp60 -82.5 123.26 29.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.1 p -147.9 145.31 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 43.5 m -133.91 144.34 48.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 56.7 -178.08 0.78 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.437 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 -25.54 28.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.691 2.26 . . . . 0.0 112.389 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 73.5 m 60.62 51.14 5.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.5 p -142.25 127.63 18.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.437 179.956 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 t -81.38 124.14 29.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.859 0.361 . . . . 0.0 110.822 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -174.51 178.06 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.81 -173.98 5.67 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.9 p -137.57 115.7 11.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.836 0.35 . . . . 0.0 110.829 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.5 p 43.02 41.1 2.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.62 81.7 1.68 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.426 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -174.9 141.65 0.62 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.747 0.308 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -75.88 -62.37 1.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -71.67 -179.29 2.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -120.11 -58.43 1.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.9 m -65.5 -18.33 65.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.577 HD23 ' CD2' ' A' ' 19' ' ' PHE . 1.7 tt -55.14 -32.84 62.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -52.01 -31.15 28.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.6 -29.4 70.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.463 ' CG ' HD22 ' A' ' 13' ' ' LEU . 48.1 mm-40 -54.48 127.6 58.55 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.629 0.728 . . . . 0.0 110.894 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 -47.2 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.754 2.303 . . . . 0.0 112.3 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.493 ' CE3' HD11 ' A' ' 44' ' ' ILE . 13.0 p-90 -64.04 -18.75 64.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.968 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.577 ' CD2' HD23 ' A' ' 13' ' ' LEU . 7.9 t80 -83.72 110.23 18.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -106.12 25.6 10.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 56.27 -126.37 40.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.37 107.43 17.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.341 . . . . 0.0 111.086 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.464 HD11 ' N ' ' A' ' 28' ' ' ALA . 8.6 pt -131.21 178.48 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -104.73 156.12 18.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.527 ' N ' HH21 ' A' ' 45' ' ' ARG . 10.0 ptp180 -47.82 -36.24 11.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.845 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.88 -49.11 69.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -58.8 -39.69 81.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.464 ' N ' HD11 ' A' ' 23' ' ' ILE . . . -75.78 -40.91 54.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -63.44 -43.96 95.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 31' ' ' GLN . 5.6 ptpp? -61.41 -33.04 73.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.479 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 19.1 mm-40 -73.41 -34.34 65.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.943 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.9 mt -77.34 -50.77 12.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 25.2 mt -61.24 -13.4 18.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -44.66 169.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 37' ' ' ASN . 91.6 p -86.5 -62.94 1.4 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.872 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -41.48 -24.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 86.9 m-20 -92.66 159.19 15.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 39' ' ' THR . 8.0 mm100 -151.3 170.33 19.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.957 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 38' ' ' GLN . 96.5 m -34.16 116.89 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.55 -37.23 2.47 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.518 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.19 117.5 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -121.81 157.98 29.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.806 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.427 ' C ' ' CD1' ' A' ' 43' ' ' LEU . 1.1 pp -163.67 131.81 3.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.493 HD11 ' CE3' ' A' ' 18' ' ' TRP . 3.4 mp -98.97 142.1 15.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.527 HH21 ' N ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -136.42 153.54 51.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -74.52 115.75 14.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.0 t -45.5 97.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' SER . 39.8 tt0 -45.37 -56.82 4.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' GLU . 20.1 t -38.0 -71.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -113.96 118.59 34.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.2 tttt -59.55 158.74 9.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.64 -48.42 2.31 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.435 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.08 173.3 4.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -142.0 157.21 45.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -132.7 135.7 45.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.6 tp -102.17 125.11 48.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.2 m -116.32 112.86 22.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.791 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 59' ' ' LEU . 13.0 t -118.35 137.38 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.473 ' N ' HG12 ' A' ' 58' ' ' VAL . 11.2 tp -84.72 132.88 34.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.494 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 1.7 t70 -135.0 83.93 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 69.92 42.91 0.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.501 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 88.91 -12.63 65.3 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.541 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 60' ' ' ASP . 5.5 p -92.04 153.63 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.888 0.375 . . . . 0.0 111.104 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.4 HG11 ' NE2' ' A' ' 66' ' ' HIS . 61.5 t -115.93 108.36 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.138 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -89.99 107.19 18.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.4 ' NE2' HG11 ' A' ' 64' ' ' VAL . 18.9 m-70 -85.8 110.17 19.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 79.7 m-85 -107.31 116.18 31.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.428 ' NH1' ' HB2' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -68.37 124.16 22.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 64.2 mt -94.48 101.67 12.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 69.4 mtt-85 -84.87 140.85 30.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.547 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 9.6 mtp-105 -107.19 151.24 25.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.493 ' N ' HD21 ' A' ' 72' ' ' LEU . 3.7 mm? -81.14 158.18 25.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.961 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -38.21 -36.85 0.24 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -80.76 -45.83 16.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.467 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . 153.2 -31.23 0.79 Allowed Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.42 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 75' ' ' GLY . . . -32.9 124.55 0.29 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.466 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.547 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 23.2 m-85 -90.36 139.63 30.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.906 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -150.78 140.24 21.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.469 HD13 ' CB ' ' A' ' 67' ' ' TYR . 12.2 tp -93.97 -13.87 26.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.5 t -152.04 150.91 30.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 81' ' ' ARG . 4.3 mmm180 -74.79 47.0 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -134.99 -30.84 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.501 ' HE3' ' CZ ' ' A' ' 94' ' ' TYR . 1.0 OUTLIER -143.78 138.59 28.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 82.3 t -125.36 140.73 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -110.76 -176.04 2.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.0 m -105.31 -44.71 4.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.805 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 89' ' ' ASN . 56.7 p -141.84 151.42 42.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.479 ' HB3' ' CH2' ' A' ' 18' ' ' TRP . 87.2 mt -39.7 -25.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 87' ' ' THR . 1.9 t-20 -61.34 -69.58 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -56.65 -23.41 41.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 2.5 t80 -61.55 -39.36 90.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.7 t -91.56 -44.7 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -51.27 -24.91 4.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.501 ' CZ ' ' HE3' ' A' ' 83' ' ' LYS . 74.4 t80 -89.96 -64.69 1.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -47.32 -39.97 16.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.2 p -52.7 -32.1 40.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 52.5 p -83.64 -24.99 31.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.157 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.2 t -158.43 138.44 12.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.47 ' N ' ' HG3' ' A' ' 105' ' ' LYS . 14.1 p -67.65 -43.45 80.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.4 t70 60.15 42.61 15.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 108.34 -43.01 1.79 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.425 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.459 HD22 ' CD2' ' A' ' 79' ' ' LEU . 2.6 mt -40.82 131.94 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.745 0.307 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 102' ' ' LEU . 52.0 t -35.32 -39.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.439 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 2.1 p -149.15 156.0 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 99' ' ' SER . 2.6 ttmm -81.5 148.83 29.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 21.6 mt -79.11 107.97 12.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.831 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -85.29 -61.14 1.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -145.99 152.62 48.11 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.59 0.709 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 145.55 57.26 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.706 2.27 . . . . 0.0 112.33 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.4 ' HG ' ' ND2' ' A' ' 37' ' ' ASN . 3.5 t -54.27 168.64 0.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.7 mt -90.49 163.46 14.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -118.9 78.23 1.26 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 47.8 mm -41.42 142.14 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -65.65 112.9 3.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 23.1 m -119.26 -19.52 5.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 25.5 m -133.76 134.52 43.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.809 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -95.87 144.83 17.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.526 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 123.68 10.34 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 24.4 p -138.75 119.98 14.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 54.5 p -47.84 -46.11 30.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.546 179.98 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.407 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.1 p -75.7 107.06 7.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.811 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t -110.09 80.24 1.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.45 -121.55 0.73 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.1 p -164.23 157.93 18.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.917 0.389 . . . . 0.0 110.791 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -125.97 159.22 33.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.86 121.66 6.84 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.442 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.4 161.43 13.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.784 0.326 . . . . 0.0 111.093 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -80.46 -64.86 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -61.22 166.88 3.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 mtp85 -134.38 -68.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.6 m -59.98 -11.91 6.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.562 HD23 ' CD2' ' A' ' 19' ' ' PHE . 1.4 tt -62.53 -26.3 68.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -62.04 -25.95 67.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.954 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.97 -34.68 78.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.064 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -44.66 130.85 5.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.698 0.761 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -40.97 4.6 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.401 ' CE3' HD12 ' A' ' 44' ' ' ILE . 11.1 p-90 -74.06 -14.57 61.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.562 ' CD2' HD23 ' A' ' 13' ' ' LEU . 12.9 t80 -85.76 124.31 32.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 21' ' ' GLY . 3.5 m-85 -124.34 49.71 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 20' ' ' PHE . . . 38.12 -119.83 0.83 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.511 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.19 103.25 8.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.472 ' CG1' ' HD2' ' A' ' 45' ' ' ARG . 9.7 pt -126.41 177.28 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -102.22 149.01 24.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.6 ptt180 -44.39 -33.46 1.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.21 -44.97 90.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.91 -39.77 87.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.456 ' N ' HD12 ' A' ' 23' ' ' ILE . . . -69.8 -47.27 63.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -51.54 -53.13 41.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -51.42 -42.71 61.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -64.14 -36.73 84.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.2 mt -74.29 -59.76 2.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 19.4 mt -51.66 -18.25 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.526 ' CE1' HD12 ' A' ' 113' ' ' ILE . 10.9 t80 -36.51 154.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 t -70.97 -63.15 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.403 ' HB2' ' CD1' ' A' ' 111' ' ' LEU . 62.7 mt-10 -43.86 -35.8 2.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.523 ' ND2' ' HG ' ' A' ' 110' ' ' CYS . 83.2 m-20 -79.9 139.27 37.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.813 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 39' ' ' THR . 27.5 mt-30 -130.86 171.54 13.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 38' ' ' GLN . 37.5 m -35.29 116.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.62 -34.34 3.04 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.459 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.23 119.32 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.329 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.562 ' CE2' HG12 ' A' ' 92' ' ' VAL . 21.3 p90 -123.67 153.32 40.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -158.39 129.55 6.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.401 HD12 ' CE3' ' A' ' 18' ' ' TRP . 2.9 mp -99.06 139.44 20.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.472 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 16.5 ptt-85 -141.73 152.21 43.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.84 156.08 37.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.5 p -78.6 116.85 19.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -51.5 153.51 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.9 t 48.42 37.24 8.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -174.36 142.33 0.77 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -124.18 109.72 13.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.441 ' O ' ' NH1' ' A' ' 71' ' ' ARG . . . 143.7 -18.44 2.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -103.93 176.61 5.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.836 0.35 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -155.07 148.17 24.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 t -125.85 132.07 52.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.7 tp -95.45 116.52 28.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.7 m -106.53 113.99 27.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.808 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.439 HG23 ' CD2' ' A' ' 106' ' ' LEU . 22.9 t -121.4 152.43 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.121 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.41 ' N ' ' CG1' ' A' ' 58' ' ' VAL . 15.7 tp -98.88 132.53 44.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.965 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.512 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 2.3 t70 -135.03 84.34 2.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 68.07 50.43 0.8 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.499 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 82.34 -12.51 44.96 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.439 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 60' ' ' ASP . 3.3 p -91.62 161.68 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.948 0.404 . . . . 0.0 111.124 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.6 t -123.76 105.98 16.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.571 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -87.42 105.53 17.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.896 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -83.39 110.48 18.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 86.7 m-85 -106.85 113.3 26.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.1 mmm-85 -70.2 126.56 30.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.8 mt -101.3 128.94 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.175 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.418 ' NE ' ' CZ ' ' A' ' 78' ' ' PHE . 2.9 ptm180 -114.78 165.29 12.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.577 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 34.6 mtp180 -125.55 147.24 49.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.564 HD12 ' CE1' ' A' ' 78' ' ' PHE . 1.2 mm? -95.8 -174.74 3.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -111.1 1.07 17.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -125.14 -22.72 4.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -120.31 -117.59 2.6 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -143.53 -120.65 1.5 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.434 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.577 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 9.9 m-85 -98.9 145.36 27.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.853 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.564 ' CE1' HD12 ' A' ' 72' ' ' LEU . 5.5 p90 -151.87 129.32 11.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.7 tp -88.24 -23.87 23.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.951 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 82' ' ' ARG . 6.7 t -144.65 124.98 13.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.112 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -42.09 -23.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' THR . 60.6 mtt-85 -61.72 -44.08 97.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.556 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 51.5 tptt -130.27 150.13 51.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.449 HG11 ' N ' ' A' ' 85' ' ' PHE . 78.3 t -141.14 144.99 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.113 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.551 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 7.8 m-85 -121.11 -176.74 3.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.0 m -102.58 -50.96 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 75.1 p -129.39 166.14 20.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.088 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 45.0 mt -53.14 -27.2 19.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -62.22 -67.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -58.45 -22.04 53.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.967 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.551 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 1.6 t80 -63.24 -40.73 98.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.562 HG12 ' CE2' ' A' ' 42' ' ' PHE . 99.3 t -92.55 -37.92 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -55.65 -18.11 7.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.556 ' CE2' ' HE2' ' A' ' 83' ' ' LYS . 29.3 t80 -91.94 -64.92 1.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -51.49 -28.71 14.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.61 -21.58 10.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.5 p -88.1 -40.71 13.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.189 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.1 t -149.52 163.56 37.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.471 ' HB3' ' CA ' ' A' ' 105' ' ' LYS . 37.8 p -105.97 37.56 2.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -41.6 97.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.11 -44.29 2.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.5 mt -61.76 150.35 37.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.954 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.2 t -59.6 -38.62 81.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.506 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 2.2 p -139.23 160.72 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.506 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 12.1 ttmt -91.32 127.83 36.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.439 ' CD2' HG23 ' A' ' 58' ' ' VAL . 29.7 mt -58.0 115.25 2.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -94.2 -68.2 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.559 ' C ' ' CE1' ' A' ' 42' ' ' PHE . 31.1 mttp -137.89 152.61 72.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.556 0.693 . . . . 0.0 110.843 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 141.24 44.42 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.654 2.236 . . . . 0.0 112.353 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.523 ' HG ' ' ND2' ' A' ' 37' ' ' ASN . 12.0 t -51.12 146.98 5.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.403 ' CD1' ' HB2' ' A' ' 36' ' ' GLU . 11.7 mt -65.07 164.26 13.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.4 mttt -119.34 95.65 4.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.526 HD12 ' CE1' ' A' ' 34' ' ' TYR . 78.3 mt -65.36 142.74 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.472 ' N ' HG23 ' A' ' 113' ' ' ILE . 4.5 tm0? -101.32 41.96 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.1 t -118.32 134.78 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.175 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.1 t 62.53 37.78 12.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -109.08 -155.48 16.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.83 143.95 52.09 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.692 2.261 . . . . 0.0 112.355 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.7 m -62.93 171.57 2.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.809 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 54.4 p -159.77 126.49 4.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.456 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m -90.92 105.06 17.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.906 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 p -79.89 99.92 7.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.908 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.74 55.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.551 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -93.84 95.65 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.975 0.417 . . . . 0.0 110.812 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.2 m -83.85 153.54 23.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.08 -112.54 0.33 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.51 169.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.746 0.308 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.47 ' O ' ' C ' ' A' ' 10' ' ' ASP . 20.3 mt-10 -64.48 -57.5 9.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 9' ' ' GLU . 1.8 p-10 31.86 39.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 9' ' ' GLU . 15.1 mtp180 -70.11 -32.22 70.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.7 m -78.65 -20.21 50.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.515 HD23 ' CG ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -59.33 -33.83 71.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.907 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -53.02 -21.81 5.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.31 -28.84 62.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.065 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.49 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 78.0 mm-40 -60.03 134.27 90.17 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.675 0.75 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -40.88 4.9 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.388 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.49 ' CZ2' ' HG3' ' A' ' 16' ' ' GLU . 22.2 p-90 -68.51 -11.4 59.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.515 ' CG ' HD23 ' A' ' 13' ' ' LEU . 8.7 t80 -92.07 119.44 31.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -115.65 25.88 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.845 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.42 -117.74 12.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.425 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -121.47 98.48 5.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.2 pt -125.77 172.97 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -99.12 159.23 15.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.428 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 8.8 ptt85 -50.23 -36.12 29.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.428 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -63.53 -42.91 98.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -70.79 -37.94 73.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.9 -38.96 73.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.098 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 32' ' ' LEU . 55.3 mt-10 -63.53 -64.56 0.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -39.8 -29.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -76.19 -40.01 53.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 29' ' ' GLU . 67.7 mt -75.59 -43.56 47.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.35 -13.49 29.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.653 ' CD2' ' CD2' ' A' ' 111' ' ' LEU . 4.8 t80 -45.13 170.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.2 t -88.89 -59.98 2.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -42.87 -27.27 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.792 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -87.58 151.84 22.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.42 ' C ' HD21 ' A' ' 59' ' ' LEU . 2.6 pp0? -133.23 -174.69 3.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.5 m -54.32 106.94 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.232 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.93 -28.71 2.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.541 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.11 115.12 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.861 0.362 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.653 ' CE2' ' CG1' ' A' ' 92' ' ' VAL . 21.9 p90 -120.3 153.31 36.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 pp -163.95 127.82 2.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.464 HD11 ' CE3' ' A' ' 18' ' ' TRP . 3.7 mp -99.15 144.48 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.113 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.6 ptt85 -139.11 160.59 39.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -87.09 119.93 27.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.5 t -40.27 129.88 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -71.61 -49.79 36.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.2 t -61.66 -67.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -92.59 148.69 21.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -95.92 142.62 27.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.534 ' O ' ' CE1' ' A' ' 54' ' ' PHE . . . 99.0 -40.67 2.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.423 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.27 157.11 29.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.534 ' CE1' ' O ' ' A' ' 52' ' ' GLY . 81.7 m-85 -134.8 149.29 50.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 65.6 m -123.83 126.32 46.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.821 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.0 tp -93.15 110.71 22.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.411 ' C ' HD13 ' A' ' 32' ' ' LEU . 1.1 t -102.21 117.18 34.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.409 ' CG1' ' N ' ' A' ' 59' ' ' LEU . 16.4 t -124.15 152.18 29.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.459 HD13 ' CA ' ' A' ' 62' ' ' GLY . 24.5 tp -99.24 132.65 44.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.489 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 3.1 t70 -134.03 82.14 1.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 70.75 42.63 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.459 ' CA ' HD13 ' A' ' 59' ' ' LEU . . . 88.88 -10.64 71.81 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.452 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 60' ' ' ASP . 6.1 p -94.39 154.27 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.339 . . . . 0.0 111.109 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 45.0 t -114.28 110.96 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -91.95 107.08 18.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.898 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -84.26 110.21 18.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 65' ' ' LYS . 67.3 m-85 -108.2 116.01 31.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -69.84 117.17 11.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 44.5 mt -89.13 103.74 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.475 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 27.7 mtm-85 -79.73 146.38 32.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.56 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 12.0 mtp-105 -118.4 149.3 41.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.548 HD13 ' CE1' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -101.09 166.78 10.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -95.9 -5.7 40.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -120.68 -25.93 5.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -106.74 -112.97 3.74 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.497 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -152.29 -93.18 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.56 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 9.7 m-85 -127.31 155.22 43.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.548 ' CE1' HD13 ' A' ' 72' ' ' LEU . 7.5 p90 -163.03 129.06 3.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.1 tp -87.03 -15.62 38.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 83' ' ' LYS . 3.1 t -160.47 125.56 3.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 80' ' ' THR . 17.4 mmm180 -33.52 -48.6 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.441 ' HG2' ' CG2' ' A' ' 80' ' ' THR . 0.1 OUTLIER -51.68 -45.18 63.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.54 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 9.7 tptt -113.33 124.82 53.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 99.6 t -134.18 136.43 53.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.467 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 23.2 m-85 -118.99 -174.69 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 m -110.81 -50.16 2.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.2 p -124.75 154.73 40.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.46 HD12 ' CD1' ' A' ' 13' ' ' LEU . 86.9 mt -47.36 -26.76 1.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -63.6 -63.55 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.403 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 10.2 mt-10 -63.03 -10.06 12.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.9 t80 -78.44 -40.87 34.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.653 ' CG1' ' CE2' ' A' ' 42' ' ' PHE . 45.2 t -92.7 -35.72 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -59.72 -18.05 39.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.54 ' CE2' ' HE2' ' A' ' 83' ' ' LYS . 45.3 t80 -92.36 -56.13 3.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.984 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -62.15 -12.78 21.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.3 p -76.45 0.14 20.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.42 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 6.8 p -111.51 -26.33 9.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.0 t -162.35 157.49 22.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.9 p -106.79 59.27 0.63 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -49.96 87.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.809 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 87.11 -43.88 3.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.9 mt -46.51 135.63 8.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.919 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 44.8 t -43.17 -41.03 3.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.507 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 1.6 p -145.47 159.49 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.507 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 20.3 ttpp -92.56 130.16 38.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 18.8 mt -56.58 120.35 7.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -101.14 -66.03 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt -137.27 152.69 73.91 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.547 0.689 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 149.03 66.18 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.701 2.267 . . . . 0.0 112.309 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.5 t -61.48 151.28 33.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.653 ' CD2' ' CD2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -82.3 155.12 24.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.469 ' N ' HD13 ' A' ' 111' ' ' LEU . 54.4 mttt -106.84 141.27 38.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.452 ' N ' HD12 ' A' ' 113' ' ' ILE . 4.6 mm -79.74 141.45 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -60.75 87.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.2 p -39.0 133.65 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.2 t -97.07 163.92 12.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -163.64 143.43 8.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 88.3 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.685 2.257 . . . . 0.0 112.291 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.5 m -144.43 137.34 26.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 93.9 p -151.05 143.49 24.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.6 p -62.68 160.46 14.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.34 . . . . 0.0 110.914 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 p -38.83 132.4 1.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.784 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.46 94.29 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.439 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.6 m -129.6 134.59 47.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.1 m -115.18 161.05 18.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.78 -105.85 0.25 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.515 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.73 95.86 5.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.767 0.317 . . . . 0.0 111.089 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 10' ' ' ASP . 5.1 tp10 -108.09 45.08 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' GLU . 0.5 OUTLIER 33.47 51.63 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.68 -29.11 70.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 81.7 p -71.56 -25.79 62.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.57 HD22 ' CD2' ' A' ' 19' ' ' PHE . 2.0 tt -48.08 -25.37 1.41 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -52.5 -33.04 43.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.81 -32.75 72.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.053 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.461 ' CG ' HD21 ' A' ' 13' ' ' LEU . 27.6 mm-40 -53.92 131.69 58.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.649 0.738 . . . . 0.0 110.862 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -45.35 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.442 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 16.0 p-90 -64.9 -15.14 61.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.99 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.57 ' CD2' HD22 ' A' ' 13' ' ' LEU . 9.2 t80 -87.35 130.29 34.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -129.45 32.58 4.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.33 -120.32 15.44 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.569 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.88 103.55 9.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.707 0.289 . . . . 0.0 111.079 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.429 HD11 ' N ' ' A' ' 28' ' ' ALA . 18.7 pt -129.43 174.42 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -100.92 163.4 12.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 11.3 ptt-85 -53.02 -34.48 56.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.418 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -62.98 -49.59 74.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.418 ' HA ' ' CD ' ' A' ' 30' ' ' LYS . 5.2 m-20 -66.31 -34.9 79.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.429 ' N ' HD11 ' A' ' 23' ' ' ILE . . . -72.88 -40.21 65.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 32' ' ' LEU . 28.5 mt-10 -65.35 -64.62 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.418 ' CD ' ' HA ' ' A' ' 27' ' ' ASP . 9.9 ptmm? -38.34 -33.64 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.428 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 23.8 mm-40 -73.28 -42.81 62.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' GLU . 83.7 mt -71.1 -42.21 69.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.1 -20.47 65.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -40.67 146.61 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 t -63.09 -58.93 5.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.827 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -41.67 -41.02 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 79.3 m-20 -75.38 151.47 38.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.418 ' C ' HD21 ' A' ' 59' ' ' LEU . 42.9 mt-30 -141.33 172.62 12.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.2 m -39.41 115.16 0.47 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.88 -36.47 2.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.37 130.06 4.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.862 0.363 . . . . 0.0 111.081 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.566 ' CE2' ' CG1' ' A' ' 92' ' ' VAL . 21.0 p90 -133.46 156.25 48.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.795 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -162.84 129.51 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.421 HD12 ' CE3' ' A' ' 18' ' ' TRP . 3.5 mp -100.46 148.43 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.1 ptt85 -143.82 169.89 16.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -90.78 130.6 36.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.1 t -49.36 127.26 14.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -74.99 -37.42 61.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.3 t -72.93 -53.55 11.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.417 ' OE1' ' C ' ' A' ' 51' ' ' LYS . 12.6 tm0? -103.04 158.63 16.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 51' ' ' LYS . 2.0 tmtp? -106.68 126.33 52.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.433 ' O ' ' CE1' ' A' ' 54' ' ' PHE . . . 113.39 -45.7 1.28 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.46 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -60.52 177.09 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.433 ' CE1' ' O ' ' A' ' 52' ' ' GLY . 83.8 m-85 -147.26 153.79 40.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 t -126.39 137.84 53.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.817 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.9 tp -105.9 122.6 46.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.972 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 t -114.0 115.63 27.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.9 t -121.16 149.93 24.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.174 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.418 HD21 ' C ' ' A' ' 38' ' ' GLN . 32.5 tp -96.95 133.18 41.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.505 ' HB3' ' CG1' ' A' ' 63' ' ' VAL . 1.7 t70 -135.02 74.82 1.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.816 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.418 ' HG3' ' C ' ' A' ' 60' ' ' ASP . 16.1 mt-10 75.06 54.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.39 -5.53 50.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.505 ' CG1' ' HB3' ' A' ' 60' ' ' ASP . 6.6 p -97.34 156.82 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.371 . . . . 0.0 111.087 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.405 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 42.1 t -120.62 105.46 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -87.63 109.49 19.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.417 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 89.1 m-70 -87.06 111.72 21.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.808 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 85.2 m-85 -106.6 134.93 48.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -87.38 121.48 29.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.829 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.5 mt -95.56 105.43 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -91.74 144.27 25.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.549 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 32.7 mtp180 -107.85 154.52 21.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.548 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.6 OUTLIER -102.92 -178.32 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.46 -11.65 17.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -118.85 -22.96 7.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -105.47 -124.17 5.32 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.454 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -147.52 -89.35 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.487 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.549 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 24.6 m-85 -126.86 142.26 51.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.917 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.548 ' CE1' HD11 ' A' ' 72' ' ' LEU . 5.6 p90 -153.24 129.18 10.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.0 tp -85.73 -24.45 26.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 81' ' ' ARG . 9.8 t -150.72 123.11 8.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 80' ' ' THR . 11.5 mmm180 -33.48 -45.32 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 82' ' ' ARG . 4.6 mmm180 -37.77 -49.79 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 84' ' ' VAL . 41.6 tptt -129.32 149.04 51.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.47 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 67.9 t -136.53 146.31 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 21.8 m-85 -122.07 178.4 4.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 m -105.42 -50.43 3.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.4 p -126.95 155.62 42.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.157 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.442 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 88.0 mt -47.6 -25.35 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -63.71 -63.26 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -62.86 -18.57 63.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.548 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 1.5 t80 -67.49 -40.99 85.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.566 ' CG1' ' CE2' ' A' ' 42' ' ' PHE . 88.5 t -92.39 -34.89 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -59.76 -18.57 44.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -89.01 -64.61 1.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.437 ' CE1' HD13 ' A' ' 102' ' ' LEU . 36.9 m-85 -49.55 -34.83 18.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.932 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.0 p -49.04 -18.38 0.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.164 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 20.1 p -94.4 -32.23 13.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.0 t -160.32 149.64 17.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.469 ' HB3' ' CA ' ' A' ' 105' ' ' LYS . 61.4 p -92.19 42.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.848 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 99' ' ' SER . 5.6 t70 -36.83 98.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.3 -46.7 3.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.437 HD13 ' CE1' ' A' ' 95' ' ' TYR . 2.4 mt -52.04 145.21 10.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.94 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 55.5 m -55.89 -37.51 68.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.502 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 2.2 p -142.81 160.69 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.502 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 27.4 ttpp -90.79 135.12 33.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.09 112.45 3.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -87.75 -65.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -140.28 152.51 67.14 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.563 0.697 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 110' ' ' CYS . 53.8 Cg_endo -69.76 121.85 8.54 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 109' ' ' PRO . 35.3 t -34.73 150.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.9 mt -74.13 -176.51 2.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 113' ' ' ILE . 16.9 mttm -137.39 110.11 7.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.908 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 112' ' ' LYS . 9.5 mm -34.22 142.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -113.52 88.74 2.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 87.5 t -83.78 128.19 39.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.9 t -80.93 -45.77 16.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 80.44 148.5 5.48 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 138.43 37.74 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.252 . . . . 0.0 112.343 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 51.5 p -124.65 147.34 48.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.5 t -104.13 42.3 1.2 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.8 p -163.95 177.47 8.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 110.848 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.1 t -132.3 -61.29 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.58 160.85 10.48 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.54 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -93.61 150.24 20.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.851 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.8 t -111.76 126.54 55.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.03 113.76 0.33 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.443 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -171.04 119.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.797 0.332 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -43.75 -49.64 7.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.76 140.22 30.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -124.76 -67.8 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.9 p -50.1 -25.07 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.811 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.568 HD23 ' CD2' ' A' ' 19' ' ' PHE . 1.8 tt -51.45 -25.46 6.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -56.12 -26.13 48.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.72 -25.78 64.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.48 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 2.6 mm-40 -58.48 134.37 85.55 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.587 0.708 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -45.23 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.723 2.282 . . . . 0.0 112.291 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.497 ' CH2' ' HB3' ' A' ' 88' ' ' LEU . 25.7 p-90 -66.25 -16.6 64.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CD2' HD23 ' A' ' 13' ' ' LEU . 6.9 t80 -88.3 121.26 30.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -117.82 24.64 10.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.53 -108.32 2.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.3 101.83 5.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.825 0.345 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.7 pt -131.6 163.15 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.26 157.69 18.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.452 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 9.3 ptt180 -50.38 -35.35 27.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.452 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -61.86 -44.07 97.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.2 -37.79 78.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.11 -40.68 78.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 32' ' ' LEU . 27.9 mt-10 -60.86 -64.84 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -39.77 -32.6 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -74.23 -38.86 63.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' GLU . 95.7 mt -74.4 -44.86 50.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.26 -14.52 39.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.925 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.567 ' CD2' HD22 ' A' ' 111' ' ' LEU . 4.1 t80 -45.18 158.24 0.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 36' ' ' GLU . 30.9 t -74.18 -69.39 0.45 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.878 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 35' ' ' SER . 8.0 mm-40 -35.75 -38.88 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -78.13 140.89 39.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -130.31 175.63 8.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.6 m -39.81 114.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.211 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.31 -36.4 2.14 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -40.9 118.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 111.151 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.553 ' CE2' HG12 ' A' ' 92' ' ' VAL . 46.3 p90 -130.38 141.03 50.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.932 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.4 ' HG ' ' OG ' ' A' ' 57' ' ' SER . 3.4 pp -151.61 131.97 13.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.494 HD12 ' CE3' ' A' ' 18' ' ' TRP . 4.4 mp -100.37 135.83 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.3 ptt85 -128.64 158.75 37.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -92.26 127.41 37.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.5 t -54.25 103.36 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -51.98 -22.82 4.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.813 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.1 t -82.5 -55.0 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.437 ' CG ' ' OD1' ' A' ' 53' ' ' ASP . 10.4 tp60 -111.91 127.38 55.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.36 152.01 42.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.478 ' O ' ' CE2' ' A' ' 54' ' ' PHE . . . 85.51 -45.26 3.47 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.522 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.437 ' OD1' ' CG ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -58.66 149.85 24.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.869 0.366 . . . . 0.0 110.809 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.478 ' CE2' ' O ' ' A' ' 52' ' ' GLY . 96.1 m-85 -132.97 162.24 32.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.8 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -141.62 122.04 14.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.834 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.9 tp -94.15 120.14 33.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.4 ' OG ' ' HG ' ' A' ' 43' ' ' LEU . 24.8 p -114.4 113.24 24.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 37.9 t -115.22 149.56 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.8 tp -95.75 132.32 41.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.483 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 2.6 t70 -135.04 78.92 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 73.92 49.52 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.95 -6.35 62.85 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.441 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.483 ' CG1' ' O ' ' A' ' 60' ' ' ASP . 5.3 p -97.95 147.23 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 111.069 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.6 t -109.81 108.49 25.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.569 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -89.26 109.31 20.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -85.01 110.31 18.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 87.3 m-85 -106.67 113.44 26.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -67.86 130.21 42.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.3 mt -100.04 101.12 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.187 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.571 ' O ' ' CD2' ' A' ' 78' ' ' PHE . 10.9 mtt85 -87.58 134.67 33.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.419 ' NH1' ' OD2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -104.48 149.07 25.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.56 HD12 ' CE2' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -98.66 -176.79 3.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.93 -19.11 13.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -108.87 -21.91 12.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.15 -118.07 4.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -153.29 -102.2 0.21 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -109.79 148.76 30.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.898 0.38 . . . . 0.0 110.842 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.571 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -160.1 131.7 6.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.457 ' CD2' HD23 ' A' ' 102' ' ' LEU . 6.2 tp -89.12 -27.67 20.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.401 ' C ' ' H ' ' A' ' 82' ' ' ARG . 10.9 t -143.84 160.69 40.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -80.06 37.91 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.401 ' H ' ' C ' ' A' ' 80' ' ' THR . 2.0 mmp_? -126.11 -19.61 4.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.568 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 17.2 mmmt -154.09 143.65 21.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 85' ' ' PHE . 90.5 t -133.98 138.82 49.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 47.2 m-85 -120.13 178.8 4.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.2 m -99.03 -54.14 3.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.9 p -124.79 158.95 32.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.106 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.497 ' HB3' ' CH2' ' A' ' 18' ' ' TRP . 52.8 mt -48.75 -23.79 1.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.403 ' OD1' ' ND2' ' A' ' 93' ' ' ASN . 2.2 t-20 -64.7 -65.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -59.62 -19.31 48.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.579 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 0.8 OUTLIER -69.99 -39.64 75.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.553 HG12 ' CE2' ' A' ' 42' ' ' PHE . 94.3 t -92.58 -36.92 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.197 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.403 ' ND2' ' OD1' ' A' ' 89' ' ' ASN . 95.3 m-20 -58.51 -13.42 5.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.568 ' CE2' ' HE2' ' A' ' 83' ' ' LYS . 42.2 t80 -96.26 -69.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.435 ' O ' ' N ' ' A' ' 97' ' ' THR . 15.5 m-85 -44.98 -44.35 9.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.455 ' CG2' HG11 ' A' ' 92' ' ' VAL . 20.0 p -37.85 -30.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 95' ' ' TYR . 17.8 p -80.48 -47.21 14.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.5 t -143.27 149.45 37.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.433 ' HB3' ' CA ' ' A' ' 105' ' ' LYS . 6.3 p -98.43 33.6 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -40.6 101.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 99.87 -47.67 1.29 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.457 HD23 ' CD2' ' A' ' 79' ' ' LEU . 5.1 mt -63.8 151.72 41.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 11.4 t -62.87 -37.56 87.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.468 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 1.6 p -139.29 157.05 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.468 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 10.6 ttmt -88.65 141.49 28.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.545 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 19.6 mt -68.18 102.68 1.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -80.54 -64.62 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -141.72 149.13 52.45 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.611 0.719 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 110' ' ' CYS . 54.3 Cg_endo -69.79 130.85 20.02 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.725 2.283 . . . . 0.0 112.302 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 109' ' ' PRO . 6.2 t -37.65 147.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.567 HD22 ' CD2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -81.19 155.17 26.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.922 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -104.63 138.99 40.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 12.4 mm -97.04 140.58 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -128.5 131.74 48.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 35.5 m -116.38 -39.8 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.5 t -97.96 109.53 22.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -140.66 -161.0 8.52 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 2.15 3.81 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.734 2.289 . . . . 0.0 112.342 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 95.7 p 46.47 53.56 9.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.2 t -94.13 96.79 9.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.502 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 t -50.61 -49.08 57.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.863 0.364 . . . . 0.0 110.898 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.0 t -75.3 -58.73 3.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.59 -116.65 2.44 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.568 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -140.33 121.67 14.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.351 . . . . 0.0 110.857 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 m -141.64 148.69 39.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.78 155.54 23.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 9' ' ' GLU . . . -72.81 91.0 1.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.706 0.289 . . . . 0.0 111.086 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 8' ' ' ALA . 1.1 pt-20 36.23 45.47 0.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -103.39 111.1 23.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.2 mtt180 -132.07 -46.06 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.795 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.6 p -66.77 -32.19 73.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mt -50.27 -26.74 5.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -52.33 -25.88 10.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.14 -27.81 42.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.078 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.446 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 6.9 mm-40 -62.87 128.05 91.47 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.64 0.734 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -43.3 2.8 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.636 2.224 . . . . 0.0 112.363 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.446 ' CZ2' ' HG3' ' A' ' 16' ' ' GLU . 20.3 p-90 -65.64 -13.72 59.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -85.86 119.55 26.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.447 ' O ' ' C ' ' A' ' 21' ' ' GLY . 32.9 m-85 -119.42 50.08 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 20' ' ' PHE . . . 34.69 -122.91 0.49 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.464 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.91 101.99 8.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.721 0.296 . . . . 0.0 111.116 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.421 HD13 ' N ' ' A' ' 28' ' ' ALA . 9.2 pt -127.75 177.36 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.7 mtmm -102.33 154.72 18.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.446 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 8.2 ptt180 -48.32 -34.92 11.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.446 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -64.01 -45.54 88.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -67.6 -36.2 80.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.421 ' N ' HD13 ' A' ' 23' ' ' ILE . . . -73.86 -40.48 63.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 32' ' ' LEU . 9.8 mt-10 -58.97 -66.06 0.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -40.31 -34.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -71.96 -37.69 69.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 29' ' ' GLU . 17.0 mt -75.7 -46.34 31.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.82 -14.08 29.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.574 ' CD2' HD21 ' A' ' 111' ' ' LEU . 4.4 t80 -41.02 156.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.4 t -72.04 -62.49 1.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.466 ' HB2' ' CD2' ' A' ' 111' ' ' LEU . 61.0 mt-10 -43.46 -33.11 1.01 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.846 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -86.48 143.67 27.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -136.4 179.5 6.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.5 m -39.35 117.74 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.18 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.27 -35.11 3.04 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.446 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.27 118.89 2.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.907 0.384 . . . . 0.0 111.074 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.441 ' CE2' HG13 ' A' ' 92' ' ' VAL . 27.4 p90 -121.79 160.61 24.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.408 ' C ' HD12 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -166.29 130.95 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -101.29 140.44 20.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.414 ' NH2' ' ND1' ' A' ' 66' ' ' HIS . 14.1 ptt-85 -142.02 152.11 43.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.2 141.0 49.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 48' ' ' GLU . 4.5 t -77.44 86.4 3.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 47' ' ' SER . 40.7 tt0 -36.38 -44.1 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.9 t -54.34 -50.76 66.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.853 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -120.96 122.61 40.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -71.61 130.03 40.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.02 -40.68 2.46 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -64.91 171.99 3.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -150.91 146.36 26.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.3 m -123.73 132.61 53.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.1 tp -99.32 107.67 20.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -96.09 120.87 37.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.437 HG23 ' CD2' ' A' ' 106' ' ' LEU . 20.1 t -125.64 150.93 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.196 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.466 HD11 ' CA ' ' A' ' 62' ' ' GLY . 19.3 tp -101.45 133.58 45.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.475 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 0.9 OUTLIER -135.05 79.76 1.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.767 179.873 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 72.92 36.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.466 ' CA ' HD11 ' A' ' 59' ' ' LEU . . . 96.79 -12.68 65.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.492 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.475 ' CG1' ' O ' ' A' ' 60' ' ' ASP . 8.6 p -92.3 141.82 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 0.0 111.097 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 42.5 t -106.72 105.79 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.457 ' CE ' HG13 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -92.26 106.26 18.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.414 ' ND1' ' NH2' ' A' ' 45' ' ' ARG . 26.9 m-70 -83.66 115.73 22.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -106.49 109.74 21.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.462 ' NE ' ' HE ' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -64.95 117.11 7.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.942 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.7 mt -92.53 123.58 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.462 ' HE ' ' NE ' ' A' ' 68' ' ' ARG . 20.4 mmt180 -100.45 165.11 11.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.427 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 6.8 mtm-85 -127.17 150.02 49.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.635 ' CD2' ' CD1' ' A' ' 78' ' ' PHE . 2.6 mm? -89.06 -174.86 4.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.04 -36.54 64.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -67.05 -30.31 70.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 116.28 29.1 2.41 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.524 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -106.54 144.46 15.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.427 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 38.0 m-85 -92.14 143.22 26.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.837 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.635 ' CD1' ' CD2' ' A' ' 72' ' ' LEU . 13.6 p90 -154.07 140.14 18.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.4 tp -95.57 -20.21 19.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.488 ' CG2' ' HG2' ' A' ' 82' ' ' ARG . 8.9 t -143.66 140.26 29.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -59.13 -9.47 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.488 ' HG2' ' CG2' ' A' ' 80' ' ' THR . 17.6 ptt180 -104.06 20.68 17.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.515 ' HE3' ' CZ ' ' A' ' 94' ' ' TYR . 1.0 OUTLIER -177.17 110.89 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.471 HG23 ' CB ' ' A' ' 78' ' ' PHE . 87.0 t -121.37 149.38 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.08 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -124.35 -175.39 3.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.0 m -102.13 -56.57 2.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 77.0 p -125.95 162.8 24.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.403 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 93.1 mt -51.65 -24.06 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.448 ' O ' ' CG ' ' A' ' 93' ' ' ASN . 3.6 t-20 -64.74 -65.2 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.402 ' HA ' ' ND2' ' A' ' 93' ' ' ASN . 26.2 mt-10 -60.45 -15.74 29.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.567 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.1 t80 -69.47 -38.79 77.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.441 HG13 ' CE2' ' A' ' 42' ' ' PHE . 88.6 t -92.7 -36.97 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 89' ' ' ASN . 3.3 m-20 -55.09 -26.2 36.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.515 ' CZ ' ' HE3' ' A' ' 83' ' ' LYS . 26.8 t80 -85.7 -63.42 1.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.548 ' CE1' HD13 ' A' ' 102' ' ' LEU . 25.8 m-85 -53.69 -20.79 5.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.425 ' CG2' HG11 ' A' ' 92' ' ' VAL . 1.4 p -65.46 -11.23 41.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.072 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.8 p -96.75 -30.91 12.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.2 t -161.79 161.46 29.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.185 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 101' ' ' GLY . 83.2 p -106.3 45.59 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -38.19 92.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.92 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 86.77 -35.23 3.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.45 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.548 HD13 ' CE1' ' A' ' 95' ' ' TYR . 6.4 mt -59.83 131.55 51.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.3 t -40.69 -43.31 1.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.488 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 2.6 p -141.73 161.13 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.488 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 4.3 ttpm? -92.71 139.67 30.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.437 ' CD2' HG23 ' A' ' 58' ' ' VAL . 22.6 mt -68.41 115.49 7.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -93.53 -72.43 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -132.58 152.36 79.83 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.551 0.691 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 143.67 51.8 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.724 2.283 . . . . 0.0 112.358 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 37.9 t -54.45 128.91 33.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.574 HD21 ' CD2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -61.24 159.72 11.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.4 mttt -110.18 111.36 22.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.6 mp -66.89 143.41 15.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -50.42 97.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 29.8 m -112.03 -34.41 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.1 t -165.9 142.27 5.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.79 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -83.12 149.8 26.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 98.02 0.66 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.753 2.302 . . . . 0.0 112.332 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 60.7 m -79.93 108.87 13.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.759 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 35.3 t -157.05 159.37 37.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.764 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.528 -179.94 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 m -146.59 127.35 14.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.382 . . . . 0.0 110.861 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.0 p -54.33 -44.26 71.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.44 150.6 9.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.489 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -124.42 -61.64 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.814 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.7 t 64.2 42.57 5.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.13 106.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -116.59 153.88 31.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.731 0.301 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -92.74 -59.43 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.52 127.39 32.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 mmm-85 -122.98 -50.38 1.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.4 p -67.64 -25.49 65.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.569 HD23 ' CD2' ' A' ' 19' ' ' PHE . 1.5 tt -48.76 -24.58 1.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -58.8 -35.24 72.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.65 -28.84 68.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -53.22 130.8 51.5 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 -47.38 0.93 Allowed 'Trans proline' 0 N--CA 1.466 -0.126 0 C-N-CA 122.728 2.286 . . . . 0.0 112.355 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.479 ' CE3' HD11 ' A' ' 44' ' ' ILE . 21.6 p-90 -65.59 -10.5 35.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CD2' HD23 ' A' ' 13' ' ' LEU . 6.3 t80 -91.95 123.96 35.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -121.85 24.9 9.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.75 -120.34 21.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.43 104.75 11.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.815 0.34 . . . . 0.0 111.154 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.2 pt -132.32 172.87 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 mtmm -101.49 155.33 18.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 11.5 ptt180 -48.37 -32.61 7.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.427 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -65.91 -42.66 89.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -71.37 -40.23 70.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.97 -39.79 87.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 32' ' ' LEU . 17.4 mt-10 -60.29 -65.88 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -42.11 -27.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.806 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.415 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 14.3 mm-40 -81.81 -35.9 28.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' GLU . 25.3 mt -77.25 -47.26 20.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 32.2 mt -59.8 -19.53 51.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.575 ' CD2' HD22 ' A' ' 111' ' ' LEU . 5.8 t80 -35.48 145.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' GLU . 3.0 t -59.76 -68.37 0.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.912 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' SER . 73.7 mt-10 -36.2 -42.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 80.4 m-20 -68.53 152.29 45.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -141.57 177.37 8.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.2 m -45.79 108.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.28 -29.33 2.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.2 117.01 1.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 111.11 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.583 ' CE2' ' CG1' ' A' ' 92' ' ' VAL . 15.1 p90 -121.18 155.78 33.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 pp -164.12 127.26 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.479 HD11 ' CE3' ' A' ' 18' ' ' TRP . 4.2 mp -99.6 143.67 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.438 ' N ' HG22 ' A' ' 44' ' ' ILE . 5.5 ptt85 -138.2 166.8 23.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.458 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 17.1 mt-10 -84.92 136.64 33.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.0 m -66.99 86.71 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.823 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -41.52 -56.06 2.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 78.5 p -47.88 -45.83 30.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -132.2 109.17 9.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.7 tptt -61.05 152.15 28.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.12 -44.08 1.68 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.52 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -78.17 173.93 11.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.458 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 80.5 m-85 -144.85 164.16 31.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.7 t -137.54 130.21 29.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 69' ' ' ILE . 14.5 tp -98.76 117.97 34.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.0 m -110.36 116.89 32.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.786 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 59' ' ' LEU . 52.9 t -118.88 151.75 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.426 ' N ' HG13 ' A' ' 58' ' ' VAL . 28.8 tp -96.51 130.93 43.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.486 ' HB3' ' CG1' ' A' ' 63' ' ' VAL . 0.6 OUTLIER -132.61 82.32 2.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.826 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 70.09 48.37 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.49 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 83.77 -10.4 59.99 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.448 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.508 HG12 ' CE ' ' A' ' 65' ' ' LYS . 4.5 p -90.51 166.39 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.814 0.34 . . . . 0.0 111.129 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.416 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 36.1 t -124.86 103.79 12.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.521 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -87.52 105.52 17.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -84.58 113.52 21.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.521 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 86.6 m-85 -106.55 122.78 47.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.97 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -72.85 129.24 37.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.454 HD12 ' N ' ' A' ' 56' ' ' LEU . 45.2 mt -108.82 106.04 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.437 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 2.0 mpt_? -93.31 155.84 17.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.566 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 15.1 mtp-105 -116.98 150.5 38.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.05 -174.95 3.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -105.76 -8.23 17.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -121.07 -41.44 2.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.18 -114.98 1.02 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -154.6 -95.81 0.12 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.548 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 38.5 m-85 -116.68 147.23 42.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 0.0 110.879 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.437 ' CE1' ' HB2' ' A' ' 70' ' ' ARG . 4.9 p90 -155.46 134.21 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.3 tp -95.53 -19.63 19.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.424 ' CG2' ' HB3' ' A' ' 83' ' ' LYS . 5.3 t -143.64 135.47 26.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.186 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -53.66 -23.73 12.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.409 ' NH2' ' HA3' ' A' ' 101' ' ' GLY . 5.7 ptt180 -86.58 14.07 7.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.566 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 33.9 tptt -161.95 156.67 22.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 83' ' ' LYS . 84.5 t -160.79 144.91 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.121 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.451 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 38.7 m-85 -127.44 176.85 7.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 66.4 m -98.46 -46.72 5.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 89' ' ' ASN . 68.2 p -139.73 153.63 47.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.473 ' HB3' ' CH2' ' A' ' 18' ' ' TRP . 84.3 mt -40.43 -25.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.98 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 87' ' ' THR . 1.8 t-20 -61.23 -69.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -57.67 -22.47 46.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.535 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.8 t80 -63.61 -40.54 97.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.583 ' CG1' ' CE2' ' A' ' 42' ' ' PHE . 90.8 t -92.36 -34.5 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.48 ' ND2' ' C ' ' A' ' 93' ' ' ASN . 0.1 OUTLIER -63.9 -14.85 56.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.566 ' CE2' ' HE2' ' A' ' 83' ' ' LYS . 47.6 t80 -89.78 -69.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.524 ' CE1' HD12 ' A' ' 102' ' ' LEU . 31.7 m-85 -47.05 -40.78 15.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.6 p -40.0 -27.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 95' ' ' TYR . 7.5 p -83.36 -40.38 19.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 95' ' ' TYR . 10.0 t -154.26 159.41 41.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.6 p -101.43 34.95 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 99' ' ' SER . 72.9 m-20 -34.99 93.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 96.3 -45.18 1.93 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.55 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.524 HD12 ' CE1' ' A' ' 95' ' ' TYR . 4.6 mt -59.61 144.82 46.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.775 0.322 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.3 t -56.38 -37.48 70.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.467 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 2.2 p -142.75 158.16 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.467 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 30.4 ttpt -90.55 142.37 27.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.3 mt -70.6 110.01 5.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -89.01 -64.74 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -137.26 152.43 73.43 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.626 0.727 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 152.76 69.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.722 2.281 . . . . 0.0 112.315 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 46.5 t -62.39 127.49 31.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.575 HD22 ' CD2' ' A' ' 34' ' ' TYR . 1.2 pp -61.79 166.41 4.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.472 ' N ' HD12 ' A' ' 111' ' ' LEU . 16.2 mttm -122.42 141.02 52.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.0 mm -83.65 139.19 18.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -87.08 106.61 17.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 96.8 t -118.14 -47.53 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.04 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.3 t -92.72 -46.43 7.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 170.58 -149.27 12.4 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.542 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 128.24 15.75 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.671 2.247 . . . . 0.0 112.315 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 58.5 m -82.89 -46.32 13.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.8 p -89.88 -53.91 4.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.824 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m -119.43 41.98 2.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 0.0 110.883 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 t -161.85 124.53 2.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.82 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.34 144.1 4.13 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -129.32 162.03 28.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.387 . . . . 0.0 110.818 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.8 t -166.73 117.2 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.72 102.91 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.523 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.49 174.14 11.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.739 0.304 . . . . 0.0 111.091 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 10' ' ' ASP . 4.1 tt0 49.54 42.91 23.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER 33.64 37.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 9' ' ' GLU . 21.8 mtt-85 -107.06 27.72 8.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.6 m -93.82 -26.41 16.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.439 ' CD2' HD13 ' A' ' 88' ' ' LEU . 6.0 mt -62.88 -31.99 73.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -52.76 -18.81 2.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.95 -30.21 21.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.439 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 72.8 mm-40 -55.88 133.03 73.26 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.657 0.741 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.47 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 53.5 Cg_endo -69.78 -41.59 4.13 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.73 2.286 . . . . 0.0 112.317 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.502 ' CE3' HD11 ' A' ' 44' ' ' ILE . 12.1 p-90 -69.29 -18.92 63.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -86.75 119.57 27.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.47 ' CE1' ' O ' ' A' ' 17' ' ' PRO . 23.5 m-85 -121.4 37.55 4.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 44.45 -136.24 5.92 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.458 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.05 104.74 16.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.744 0.307 . . . . 0.0 111.07 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.469 ' CG1' ' HD2' ' A' ' 45' ' ' ARG . 7.9 pt -131.37 166.01 29.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.76 161.97 14.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.504 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -53.81 -28.99 38.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.504 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -66.35 -45.02 81.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.077 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.46 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 5.2 t70 -70.64 -37.67 73.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.436 ' CA ' HD11 ' A' ' 23' ' ' ILE . . . -72.74 -44.71 61.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.167 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -61.4 -56.07 24.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -52.69 -37.85 59.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.499 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 14.3 mm-40 -68.26 -34.9 77.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.1 mt -76.2 -54.77 6.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.475 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 23.5 mt -53.82 -19.68 4.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.475 ' CE1' ' CD1' ' A' ' 113' ' ' ILE . 9.7 t80 -35.85 146.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 37' ' ' ASN . 2.4 m -61.88 -66.0 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.893 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -39.78 -28.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 87.9 m-20 -88.67 156.07 19.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 39' ' ' THR . 20.9 pt20 -151.95 176.69 11.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 38' ' ' GLN . 23.4 m -36.69 116.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.05 -33.58 3.65 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.497 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.13 112.26 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.874 0.368 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.55 ' CE2' HG13 ' A' ' 92' ' ' VAL . 29.1 p90 -117.43 161.35 19.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 pp -170.35 129.04 0.86 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.502 HD11 ' CE3' ' A' ' 18' ' ' TRP . 5.2 mp -99.33 139.4 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.469 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 15.9 ptt-85 -138.0 158.48 44.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -72.96 133.97 44.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.6 m -60.91 104.09 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -39.01 156.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.6 p 45.54 36.77 2.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -170.94 131.19 0.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.5 tptt -108.92 124.98 51.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.7 -43.8 1.44 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -79.4 170.96 15.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.858 0.361 . . . . 0.0 110.84 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -146.0 172.4 13.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.813 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.7 p -144.77 125.32 14.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.893 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.0 tp -93.21 117.54 30.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.6 m -109.71 113.83 26.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.448 ' CG1' ' N ' ' A' ' 59' ' ' LEU . 15.3 t -116.3 154.05 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.162 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.461 HD11 ' CA ' ' A' ' 62' ' ' GLY . 25.2 tp -99.88 132.75 45.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.5 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 1.0 OUTLIER -135.04 84.74 2.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.748 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 67.96 41.37 2.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.475 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 91.59 -14.45 63.96 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.532 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 60' ' ' ASP . 6.0 p -88.69 160.01 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 111.181 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.413 HG12 ' CE1' ' A' ' 66' ' ' HIS . 59.1 t -122.03 107.52 20.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.528 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -90.31 107.64 19.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.891 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.413 ' CE1' HG12 ' A' ' 64' ' ' VAL . 53.5 m-70 -83.4 113.91 21.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.778 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.528 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 83.7 m-85 -110.83 114.69 28.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.5 mmm-85 -64.79 132.33 49.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.429 ' CD1' HG23 ' A' ' 44' ' ' ILE . 64.7 mt -105.18 96.21 4.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.21 154.95 28.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.555 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 35.3 mtp180 -121.07 142.78 49.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.485 HD12 ' CE1' ' A' ' 78' ' ' PHE . 1.0 OUTLIER -91.62 -175.53 4.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -108.46 -14.33 14.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -109.93 -34.27 6.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -101.15 -118.04 4.28 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -146.5 -98.6 0.23 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.555 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 22.4 m-85 -114.6 152.64 31.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.379 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.485 ' CE1' HD12 ' A' ' 72' ' ' LEU . 3.5 p90 -158.98 132.31 7.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.9 tp -90.44 -27.94 18.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.0 t -144.71 153.0 41.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -64.51 -8.62 14.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -98.06 3.09 49.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.455 ' HD3' ' CZ ' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -154.96 141.02 18.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.955 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 74.0 t -149.72 142.73 17.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.556 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 25.4 m-85 -134.11 170.67 15.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.85 -41.57 7.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.4 p -128.37 158.67 37.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.439 HD13 ' CD2' ' A' ' 13' ' ' LEU . 65.3 mt -55.37 -32.46 62.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.951 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -60.35 -54.51 44.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -68.37 -13.75 62.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.57 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 0.9 OUTLIER -77.35 -37.7 51.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.55 HG13 ' CE2' ' A' ' 42' ' ' PHE . 92.3 t -92.72 -35.56 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -58.88 -22.34 59.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.435 ' CE1' ' HD2' ' A' ' 83' ' ' LYS . 6.8 t80 -88.61 -62.09 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -54.93 -15.47 2.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.989 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.99 -12.44 61.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.17 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.9 p -98.1 -31.45 12.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.117 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.2 t -159.29 152.09 21.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 101' ' ' GLY . 91.0 p -91.5 43.82 1.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 99' ' ' SER . 68.8 m-20 -34.58 94.89 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 84.5 -52.89 4.77 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.559 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.2 mt -41.48 149.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 40.7 t -60.35 -30.54 69.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.491 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 1.5 p -152.25 157.82 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.179 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.491 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 4.9 ttpm? -85.84 143.24 28.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.535 ' HB3' ' CD1' ' A' ' 42' ' ' PHE . 16.0 mt -73.78 106.33 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -80.43 -72.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.4 mtpt -134.17 151.62 76.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.491 0.662 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 142.74 48.42 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.639 2.226 . . . . 0.0 112.379 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 14.1 t -50.06 165.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.5 mt -101.93 179.37 4.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.31 139.7 53.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.475 ' CD1' ' CE1' ' A' ' 34' ' ' TYR . 4.2 mm -76.83 136.35 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -57.2 134.6 56.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 27.6 m -88.68 46.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.0 t 45.11 41.83 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -144.89 146.06 16.05 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -7.78 21.92 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.738 2.292 . . . . 0.0 112.295 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 61.7 p -46.26 107.23 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.8 p -135.63 134.03 38.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.451 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.535 HD21 ' HB2' ' A' ' 88' ' ' LEU . 5.4 mt . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.744 0.306 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -50.14 -30.89 12.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.13 -32.81 59.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.456 ' HG3' HD23 ' A' ' 13' ' ' LEU . 5.2 mm-40 -53.15 131.55 51.03 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.637 0.732 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.493 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 53.7 Cg_endo -69.69 -47.12 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.388 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.461 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 22.0 p-90 -65.76 -12.56 54.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.955 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -90.2 128.73 36.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.493 ' CE1' ' O ' ' A' ' 17' ' ' PRO . 3.1 m-85 -131.22 56.37 1.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 20' ' ' PHE . . . 33.99 -123.25 0.41 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.507 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.6 106.94 12.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 111.07 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.523 HD11 ' HB2' ' A' ' 28' ' ' ALA . 20.9 pt -129.92 175.16 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -102.22 157.87 16.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.482 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 2.4 ptm180 -47.06 -34.56 5.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.482 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -62.79 -52.81 61.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -61.63 -43.23 99.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.523 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -65.04 -43.41 92.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.541 ' HG2' HG21 ' A' ' 64' ' ' VAL . 9.9 mt-10 -57.95 -65.79 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -38.21 -33.88 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -73.27 -41.74 63.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.659 ' CD1' HG13 ' A' ' 64' ' ' VAL . 95.2 mt -73.41 -50.52 21.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.67 -16.7 6.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -44.21 166.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 36' ' ' GLU . 34.7 t -81.96 -67.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.828 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' SER . 39.1 mt-10 -34.69 -38.81 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -80.67 140.5 35.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -130.55 176.61 8.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.514 HG23 ' HA ' ' A' ' 60' ' ' ASP . 88.8 m -39.6 113.46 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.13 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.99 -35.2 2.58 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.86 119.62 2.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.87 0.367 . . . . 0.0 111.083 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.878 ' HB3' HG22 ' A' ' 58' ' ' VAL . 22.8 p90 -124.35 158.64 32.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.541 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.2 pp -163.13 126.71 2.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.401 HD13 ' CE3' ' A' ' 18' ' ' TRP . 4.7 mp -99.29 137.77 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.414 ' CD ' HG13 ' A' ' 23' ' ' ILE . 42.1 ptt85 -131.71 166.64 21.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.476 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 14.0 mt-10 -90.81 116.09 28.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' GLU . 38.5 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.415 ' HA ' ' NH1' ' A' ' 71' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.823 0.344 . . . . 0.0 110.885 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.476 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 90.1 m-85 -130.1 163.21 27.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.9 p -137.1 124.49 21.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.8 tp -93.14 104.12 16.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.7 m -96.27 109.78 22.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.878 HG22 ' HB3' ' A' ' 42' ' ' PHE . 39.5 t -112.93 147.77 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.514 HD11 ' HA2' ' A' ' 62' ' ' GLY . 19.3 tp -98.52 131.55 44.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.943 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.0 OUTLIER -135.07 81.07 1.87 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.789 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 74.3 40.64 0.41 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.514 ' HA2' HD11 ' A' ' 59' ' ' LEU . . . 89.13 -7.75 81.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.457 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.943 HG12 ' O ' ' A' ' 60' ' ' ASP . 9.8 p -96.25 141.37 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 111.168 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.659 HG13 ' CD1' ' A' ' 32' ' ' LEU . 29.8 t -106.15 109.57 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.534 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -91.03 109.95 21.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -84.03 111.11 18.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.852 ' HB3' HD11 ' A' ' 79' ' ' LEU . 94.5 m-85 -106.6 109.6 21.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.909 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -64.59 113.18 3.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.4 mt -87.46 101.17 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -83.43 159.74 21.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.581 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 6.5 mtm-85 -127.46 151.83 48.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.724 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.581 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 31.0 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.91 0.386 . . . . 0.0 110.812 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.724 ' CE1' HD11 ' A' ' 72' ' ' LEU . 7.6 p90 -159.05 129.53 5.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.852 HD11 ' HB3' ' A' ' 67' ' ' TYR . 12.4 tp -87.54 -21.8 25.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 80' ' ' THR . 8.7 t -147.37 118.74 7.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 80' ' ' THR . 2.7 tpt85 -34.4 -39.46 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -45.42 -50.67 12.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.848 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.564 ' HE3' ' CE1' ' A' ' 94' ' ' TYR . 2.1 tppt? -123.47 150.95 43.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.962 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.526 HG22 ' CB ' ' A' ' 78' ' ' PHE . 74.8 t -141.26 144.71 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.144 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.489 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 34.2 m-85 -119.08 -175.05 2.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.0 m -107.72 -51.06 2.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.5 p -128.78 155.15 45.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.214 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.535 ' HB2' HD21 ' A' ' 13' ' ' LEU . 90.0 mt -45.83 -25.43 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -63.65 -65.76 0.64 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -61.07 -15.34 31.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.565 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.1 t80 -70.63 -40.39 73.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.737 HG11 ' CE2' ' A' ' 42' ' ' PHE . 87.9 t -92.45 -33.76 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -58.32 -25.93 62.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.564 ' CE1' ' HE3' ' A' ' 83' ' ' LYS . 67.2 t80 -82.85 -70.92 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.564 ' CD1' HD12 ' A' ' 102' ' ' LEU . 17.3 m-85 -42.33 -47.88 4.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 92' ' ' VAL . 3.8 p -33.98 -34.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 95' ' ' TYR . 29.3 p -74.81 -49.64 19.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' TYR . 7.9 t -143.88 158.48 43.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 101' ' ' GLY . 10.3 p -101.6 44.9 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.83 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -42.1 95.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.916 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 91.99 -45.73 2.67 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.521 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.564 HD12 ' CD1' ' A' ' 95' ' ' TYR . 2.9 mt -53.75 147.76 11.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.774 0.321 . . . . 0.0 110.897 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 83.0 m -58.92 -36.64 75.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.537 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.4 p -142.82 160.14 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.537 ' N ' HG22 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -90.5 133.36 35.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.7 mt -61.87 111.76 2.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -88.22 -69.27 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -138.32 152.38 71.3 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.554 0.692 . . . . 0.0 110.989 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 142.34 47.44 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.708 2.272 . . . . 0.0 112.357 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 12.3 t -54.0 165.69 0.45 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.1 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.88 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.8 tt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.751 0.31 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 4.7 pt20 -54.34 -30.35 51.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.458 ' N ' ' HG3' ' A' ' 14' ' ' GLN . . . -63.08 -33.89 76.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -52.35 132.71 43.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.662 0.744 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -46.14 1.3 Allowed 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.467 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 22.7 p-90 -63.69 -13.77 46.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.961 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.489 ' CD2' HD22 ' A' ' 13' ' ' LEU . 6.3 t80 -89.14 124.03 33.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.461 ' O ' HG23 ' A' ' 23' ' ' ILE . 19.2 m-85 -122.15 27.79 7.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.15 -117.37 10.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.537 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -120.67 100.53 7.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.858 0.361 . . . . 0.0 111.066 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.765 HD11 ' HB2' ' A' ' 28' ' ' ALA . 17.4 pt -127.78 169.31 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.34 153.33 17.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -47.08 -29.85 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.59 -42.47 82.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.19 -38.78 75.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.765 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -72.98 -46.0 54.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.093 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.608 ' HG2' HG11 ' A' ' 64' ' ' VAL . 17.0 mt-10 -58.59 -38.15 77.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -63.45 -41.79 98.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.42 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 12.2 mm-40 -69.9 -33.21 71.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.1 mt -74.34 -53.16 10.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 26.0 mt -59.81 -15.02 17.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -40.63 158.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.0 t -74.5 -65.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.822 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -38.86 -33.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 84.2 m-20 -81.95 145.98 30.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' THR . 17.8 mt-30 -133.42 170.77 14.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.555 HG23 ' HA ' ' A' ' 60' ' ' ASP . 84.1 m -36.45 116.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.15 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.17 -37.15 2.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -42.3 121.07 1.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.792 0.33 . . . . 0.0 111.089 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.742 ' CE2' HG11 ' A' ' 92' ' ' VAL . 17.3 p90 -126.51 158.89 34.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.674 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.3 pp -166.54 130.94 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.2 mp -101.36 140.11 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -135.97 154.01 51.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -76.03 134.45 40.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.757 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.1 t70 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.84 0.353 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -148.5 166.29 28.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.5 p -141.65 123.75 15.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.791 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.432 ' HB2' HD11 ' A' ' 69' ' ' ILE . 5.7 tp -93.79 110.13 21.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.968 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.9 m -101.79 117.36 34.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.729 HG22 ' HB3' ' A' ' 42' ' ' PHE . 21.2 t -119.04 157.84 20.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.164 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.5 ' N ' ' CG1' ' A' ' 58' ' ' VAL . 13.9 tp -106.49 132.61 52.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.958 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.7 t70 -134.95 86.53 2.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 69.08 33.75 3.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.499 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 97.6 -13.51 64.03 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.958 HG12 ' O ' ' A' ' 60' ' ' ASP . 9.8 p -90.48 151.16 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.371 . . . . 0.0 111.129 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.608 HG11 ' HG2' ' A' ' 29' ' ' GLU . 87.4 t -112.92 109.69 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -92.0 109.27 20.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -83.93 113.26 20.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.672 ' HB3' HD11 ' A' ' 79' ' ' LEU . 89.7 m-85 -106.57 114.3 28.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -65.08 120.54 12.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.432 HD11 ' HB2' ' A' ' 56' ' ' LEU . 61.8 mt -96.11 97.03 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.2 mtt-85 -84.36 151.99 24.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.574 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 35.7 mtp180 -117.85 144.99 44.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.736 HD11 ' CE2' ' A' ' 78' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.574 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 30.5 m-85 . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.861 0.363 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.736 ' CE2' HD11 ' A' ' 72' ' ' LEU . 2.4 p90 -156.54 137.28 13.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.672 HD11 ' HB3' ' A' ' 67' ' ' TYR . 8.6 tp -97.47 -12.96 22.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.466 ' O ' ' C ' ' A' ' 81' ' ' ARG . 9.1 t -166.61 125.56 1.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.487 ' HD3' ' CE1' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -33.41 -45.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 81' ' ' ARG . 53.3 mtp85 -35.87 -49.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.83 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.493 ' HE2' ' CD2' ' A' ' 94' ' ' TYR . 47.1 tptt -133.53 148.74 51.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.491 HG22 ' CB ' ' A' ' 78' ' ' PHE . 57.9 t -138.7 141.69 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.574 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 8.6 m-85 -120.43 176.25 5.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.1 m -104.55 -47.31 4.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.812 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 69.4 p -127.45 149.8 49.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.467 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 84.4 mt -43.06 -24.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -64.1 -63.44 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -62.78 -12.37 23.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.574 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 1.8 t80 -74.19 -40.28 62.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.742 HG11 ' CE2' ' A' ' 42' ' ' PHE . 96.0 t -92.65 -39.81 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.099 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -57.56 -12.85 3.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.493 ' CD2' ' HE2' ' A' ' 83' ' ' LYS . 53.1 t80 -95.02 -66.91 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.499 ' CE1' HD12 ' A' ' 102' ' ' LEU . 26.2 m-85 -51.24 -18.29 0.9 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.958 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.51 -8.12 17.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.204 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.418 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 11.1 p -105.56 -27.77 11.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.6 t -164.35 152.76 12.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 51.3 p -98.4 44.52 1.03 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -40.11 99.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.12 -39.28 3.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.523 HD23 ' CE1' ' A' ' 67' ' ' TYR . 2.7 mt -61.9 145.47 52.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.807 0.337 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 36.8 t -56.65 -38.27 71.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.552 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.3 p -141.66 160.78 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.552 ' N ' HG22 ' A' ' 104' ' ' VAL . 25.9 ttpt -93.72 129.84 39.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.453 ' CD2' HG21 ' A' ' 58' ' ' VAL . 24.5 mt -56.59 107.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -82.33 -71.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -135.86 152.81 76.51 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.563 0.697 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 135.88 31.45 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.692 2.261 . . . . 0.0 112.355 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.4 t -47.91 144.02 3.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 14.1 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.839 HD11 HD12 ' A' ' 88' ' ' LEU . 2.0 tt . . . . . 0 C--O 1.229 0.024 0 CA-C-O 120.852 0.358 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 16.5 pt20 -54.58 -34.59 62.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.429 ' N ' ' HG3' ' A' ' 14' ' ' GLN . . . -60.98 -31.89 71.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.064 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -50.5 131.04 26.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.667 0.746 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -42.68 3.15 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.496 ' CH2' ' HB3' ' A' ' 88' ' ' LEU . 17.2 p-90 -69.85 -10.17 57.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.509 ' CD2' HD22 ' A' ' 13' ' ' LEU . 8.4 t80 -92.66 115.24 27.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.407 ' O ' HG23 ' A' ' 23' ' ' ILE . 14.0 m-85 -111.01 28.38 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.73 -118.32 13.53 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.94 102.51 8.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.732 0.301 . . . . 0.0 111.013 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.498 HD11 ' HB2' ' A' ' 28' ' ' ALA . 20.2 pt -130.22 170.21 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.083 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -96.7 163.95 12.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -54.64 -34.18 61.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.02 -44.36 96.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -71.08 -38.68 72.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.498 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -68.84 -37.94 79.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.69 ' HG2' HG21 ' A' ' 64' ' ' VAL . 23.3 mt-10 -68.09 -60.76 2.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 31' ' ' GLN . 10.7 ptpt -45.16 -32.63 1.91 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.407 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 18.0 mm-40 -73.84 -39.1 64.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.528 ' CD1' HG13 ' A' ' 64' ' ' VAL . 89.3 mt -73.34 -49.94 24.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.595 HD11 ' O ' ' A' ' 62' ' ' GLY . 4.2 mm? -55.35 -23.32 23.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 1.002 ' CD2' HD21 ' A' ' 111' ' ' LEU . 5.7 t80 -36.07 151.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 37' ' ' ASN . 7.5 t -67.02 -64.34 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.86 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -39.74 -28.78 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 35' ' ' SER . 88.8 m-20 -90.31 141.79 28.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 39' ' ' THR . 28.6 mt-30 -136.22 173.74 11.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 38' ' ' GLN . 85.5 m -35.01 111.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.19 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.98 -33.3 2.73 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.51 121.06 3.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 111.113 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.739 ' HB3' HG22 ' A' ' 58' ' ' VAL . 25.8 p90 -127.8 151.7 48.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.668 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.3 pp -159.51 130.78 6.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 mp -102.66 140.25 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.5 ptt85 -134.19 169.5 17.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 47' ' ' SER . 14.9 mt-10 -93.8 119.57 32.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 46' ' ' GLU . 12.8 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.861 0.362 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -133.53 147.7 51.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 t -126.09 129.18 48.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 tp -95.78 115.88 28.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.2 m -106.34 114.53 28.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.739 HG22 ' HB3' ' A' ' 42' ' ' PHE . 28.0 t -117.5 147.87 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.507 HD11 ' HA2' ' A' ' 62' ' ' GLY . 29.4 tp -96.8 131.19 43.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.953 ' O ' HG12 ' A' ' 63' ' ' VAL . 5.1 t70 -135.02 84.49 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 71.44 35.57 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.595 ' O ' HD11 ' A' ' 33' ' ' LEU . . . 94.84 -11.39 69.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.422 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.953 HG12 ' O ' ' A' ' 60' ' ' ASP . 9.1 p -92.99 149.01 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 111.114 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.69 HG21 ' HG2' ' A' ' 29' ' ' GLU . 22.7 t -111.62 108.99 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.587 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -90.85 110.3 21.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -84.71 110.72 18.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.587 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 91.1 m-85 -106.49 122.31 46.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.694 ' O ' HD12 ' A' ' 79' ' ' LEU . 1.0 OUTLIER -70.25 134.87 48.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.831 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 63.1 mt -107.95 93.8 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.058 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.575 ' O ' ' CD2' ' A' ' 78' ' ' PHE . 97.9 mtt180 -85.95 133.66 33.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.602 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 1.0 OUTLIER -108.09 150.37 27.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.52 HD11 ' CE2' ' A' ' 78' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.602 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 41.4 m-85 . . . . . 0 C--O 1.233 0.226 0 CA-C-O 120.809 0.337 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.575 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 2.9 p90 -173.25 129.27 0.46 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.966 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.694 HD12 ' O ' ' A' ' 68' ' ' ARG . 11.5 tp -89.19 -21.47 23.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 81' ' ' ARG . 7.9 t -152.37 126.15 8.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 80' ' ' THR . 16.2 mmm-85 -36.94 -38.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -45.16 -50.17 11.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.456 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 50.2 tptt -124.38 149.87 46.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.5 HG13 ' HB3' ' A' ' 78' ' ' PHE . 57.4 t -140.34 137.94 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.065 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.571 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 14.9 m-85 -116.45 -175.44 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.6 m -106.77 -45.71 4.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 67.5 p -134.8 165.59 24.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.839 HD12 HD11 ' A' ' 13' ' ' LEU . 96.4 mt -52.49 -25.88 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.975 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -63.57 -68.87 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -58.14 -16.89 15.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.571 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 1.6 t80 -68.68 -40.86 79.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.652 HG11 ' CE2' ' A' ' 42' ' ' PHE . 87.9 t -92.63 -41.53 12.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -54.01 -17.63 2.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.504 ' O ' HG23 ' A' ' 97' ' ' THR . 53.4 t80 -90.61 -66.97 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.406 ' CD1' HD12 ' A' ' 102' ' ' LEU . 28.3 m-85 -52.01 -24.85 7.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.922 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.92 -11.79 2.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 94' ' ' TYR . 2.0 p -101.1 -34.71 9.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.6 t -157.57 149.23 21.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.5 p -89.84 36.78 0.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 99' ' ' SER . 21.4 t70 -35.69 95.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 92.53 -40.18 2.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.463 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 99' ' ' SER . 2.7 mt -64.83 144.24 57.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.835 0.35 . . . . 0.0 110.859 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 2.3 t -54.33 -39.31 66.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.502 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.3 p -140.1 158.17 25.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.502 ' N ' HG22 ' A' ' 104' ' ' VAL . 19.9 ttpt -90.76 137.39 32.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.424 ' HB3' ' CD1' ' A' ' 42' ' ' PHE . 16.1 mt -65.77 116.84 7.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -94.19 -65.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -137.85 151.58 70.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.655 0.741 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 141.77 45.84 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.306 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 5.7 t -53.05 136.01 36.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 1.002 HD21 ' CD2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.997 HD11 HD12 ' A' ' 88' ' ' LEU . 1.8 tt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.734 0.302 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -52.3 -33.64 43.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.94 -33.57 73.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.415 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 58.8 mm-40 -55.84 131.77 72.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.693 0.759 . . . . 0.0 110.818 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -43.42 2.67 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.679 2.253 . . . . 0.0 112.333 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.501 ' CH2' ' HB3' ' A' ' 88' ' ' LEU . 22.8 p-90 -65.63 -6.9 12.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.617 ' CG ' HD22 ' A' ' 13' ' ' LEU . 8.6 t80 -97.5 124.66 41.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.505 ' O ' HG23 ' A' ' 23' ' ' ILE . 3.3 m-85 -125.94 32.04 5.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 56.56 -133.08 51.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.22 101.41 10.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 111.046 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.585 HD11 ' HB2' ' A' ' 28' ' ' ALA . 18.3 pt -127.56 170.74 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.115 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -99.54 176.24 5.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -64.93 -31.05 72.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.72 -43.13 80.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -72.66 -37.04 68.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.585 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -73.51 -45.09 55.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.437 ' HG2' HG21 ' A' ' 64' ' ' VAL . 9.4 mt-10 -60.79 -38.92 86.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -65.25 -30.73 71.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -79.74 -34.38 40.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.951 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.481 HD11 ' CB ' ' A' ' 57' ' ' SER . 91.7 mt -76.68 -51.59 11.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.5 mt -57.66 -17.78 16.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.97 ' CD2' HD21 ' A' ' 111' ' ' LEU . 6.4 t80 -39.77 144.48 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' GLU . 4.7 t -58.93 -67.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.853 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.439 ' HB2' ' CD2' ' A' ' 111' ' ' LEU . 36.1 mm-40 -35.8 -38.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -76.67 143.61 39.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -132.24 171.5 13.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.626 HG23 ' HA ' ' A' ' 60' ' ' ASP . 7.4 m -37.25 115.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.67 -35.46 2.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.526 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -40.65 118.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.783 0.325 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.797 ' HB3' HG22 ' A' ' 58' ' ' VAL . 45.1 p90 -126.3 146.78 49.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.566 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.8 pp -153.07 131.07 11.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.416 HG21 HD22 ' A' ' 88' ' ' LEU . 3.8 mp -103.43 139.64 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.7 ptt85 -132.01 172.99 11.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.446 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 18.1 mt-10 -96.47 121.05 37.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 -179.834 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.85 0.357 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.446 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 78.5 m-85 -145.62 168.27 21.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 t -138.74 127.47 23.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.409 ' HB2' HD11 ' A' ' 69' ' ' ILE . 7.5 tp -98.26 114.83 27.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.823 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.481 ' CB ' HD11 ' A' ' 32' ' ' LEU . 15.6 m -107.91 117.23 33.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.78 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.797 HG22 ' HB3' ' A' ' 42' ' ' PHE . 25.4 t -119.71 144.56 27.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.627 HD11 ' HA2' ' A' ' 62' ' ' GLY . 41.2 tp -96.5 133.96 40.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.923 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.0 OUTLIER -135.1 79.88 1.81 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.789 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 73.51 31.54 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.627 ' HA2' HD11 ' A' ' 59' ' ' LEU . . . 101.44 -8.49 56.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.502 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.923 HG12 ' O ' ' A' ' 60' ' ' ASP . 11.5 p -98.24 131.47 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 111.185 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.437 HG21 ' HG2' ' A' ' 29' ' ' GLU . 62.0 t -99.55 109.34 24.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.496 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -92.09 114.35 26.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -88.64 113.1 23.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.681 ' CE1' HD23 ' A' ' 102' ' ' LEU . 83.0 m-85 -106.54 117.76 34.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.5 ttm-85 -67.7 125.41 26.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.81 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.415 HG12 HD13 ' A' ' 79' ' ' LEU . 61.0 mt -100.57 97.78 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.44 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 16.5 mtt85 -83.42 151.84 25.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.576 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 9.6 mtp-105 -116.59 153.3 32.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.734 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.576 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 46.3 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.862 0.363 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.734 ' CE1' HD11 ' A' ' 72' ' ' LEU . 7.3 p90 -153.41 132.73 12.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' A' ' 67' ' ' TYR . 11.7 tp -89.81 -18.72 25.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.0 t -155.54 131.27 9.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -44.45 -24.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -60.12 -44.09 95.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 84' ' ' VAL . 50.7 tptt -130.51 155.2 46.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.447 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 85.8 t -143.96 146.88 20.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.15 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.565 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 26.7 m-85 -125.08 177.42 6.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.3 m -104.54 -43.56 5.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 57.2 p -135.28 152.28 51.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.133 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.997 HD12 HD11 ' A' ' 13' ' ' LEU . 84.5 mt -43.16 -27.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.81 -64.26 1.01 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -61.66 -21.94 64.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.565 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 4.0 t80 -64.22 -40.06 95.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.696 HG11 ' CE2' ' A' ' 42' ' ' PHE . 85.0 t -92.59 -39.97 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.44 -12.2 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -93.72 -68.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.498 ' O ' ' N ' ' A' ' 98' ' ' THR . 30.3 m-85 -45.51 -42.01 10.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.899 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 95' ' ' TYR . 1.5 p -37.42 -33.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.147 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.2 p -79.37 -40.51 30.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.635 HG23 ' OD2' ' A' ' 100' ' ' ASP . 13.7 t -151.7 154.06 35.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.4 p -73.49 -27.79 61.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.635 ' OD2' HG23 ' A' ' 98' ' ' THR . 8.6 m-20 58.36 26.02 13.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.823 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 114.53 -20.25 15.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.453 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.681 HD23 ' CE1' ' A' ' 67' ' ' TYR . 2.5 mt -61.14 135.25 57.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.783 0.325 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 102' ' ' LEU . 86.7 m -33.39 -41.38 0.08 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.428 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 0.9 OUTLIER -144.65 152.69 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.428 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 27.7 ttpt -87.25 129.16 35.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.418 HD12 ' HB2' ' A' ' 95' ' ' TYR . 24.0 mt -54.92 117.1 3.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.401 ' C ' ' HG2' ' A' ' 108' ' ' LYS . 13.3 mm-40 -96.39 -55.44 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.403 ' C ' ' CE1' ' A' ' 42' ' ' PHE . 9.6 mmtp -149.76 152.74 35.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.583 0.706 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 154.02 68.41 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 15.2 t -65.14 164.83 12.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.97 HD21 ' CD2' ' A' ' 34' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.578 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.7 tt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.786 0.327 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 4.9 pt20 -59.69 -30.9 69.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.43 ' N ' ' HG3' ' A' ' 14' ' ' GLN . . . -61.64 -32.02 72.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -51.41 130.77 34.17 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.68 0.752 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.428 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 53.0 Cg_endo -69.83 -44.08 2.24 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.485 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 21.5 p-90 -69.72 -11.42 60.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.481 ' CD2' HD22 ' A' ' 13' ' ' LEU . 13.3 t80 -89.79 111.19 22.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.703 ' O ' HG23 ' A' ' 23' ' ' ILE . 5.6 m-85 -114.04 41.66 2.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 37.8 -143.87 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.533 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.61 106.96 18.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.713 HD11 ' HB2' ' A' ' 28' ' ' ALA . 19.4 pt -134.26 171.71 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -100.52 153.79 19.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -46.36 -30.76 2.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.16 -44.97 86.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -70.88 -39.88 72.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.713 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -69.94 -41.43 74.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.566 ' HG2' HG21 ' A' ' 64' ' ' VAL . 20.6 mt-10 -60.81 -68.0 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 29' ' ' GLU . 14.5 mtpp -37.12 -37.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -68.98 -42.83 76.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.922 HD12 HG13 ' A' ' 64' ' ' VAL . 78.1 mt -71.43 -42.37 68.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.549 HD21 ' CG2' ' A' ' 64' ' ' VAL . 4.5 mm? -65.15 -20.31 66.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -38.59 154.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.9 m -69.77 -59.11 3.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.837 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -43.99 -37.04 2.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -81.8 146.29 29.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.472 ' C ' HD23 ' A' ' 59' ' ' LEU . 18.6 mt-30 -139.34 175.15 9.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.569 HG23 ' HA ' ' A' ' 60' ' ' ASP . 67.3 m -36.27 116.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.19 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.53 -36.82 2.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.406 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -45.1 117.02 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.83 ' CE2' HG11 ' A' ' 92' ' ' VAL . 35.3 p90 -121.31 159.34 26.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.529 HD21 ' HB1' ' A' ' 28' ' ' ALA . 0.8 OUTLIER -163.96 133.07 3.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.0 mp -104.34 139.4 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.076 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 57' ' ' SER . 2.9 ptt-85 -136.82 160.65 38.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.568 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 1.9 mp0 -81.91 142.91 32.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.3 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.804 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 t70 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.815 0.34 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 91.4 m-85 -153.29 147.85 26.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.447 ' O ' ' NH1' ' A' ' 45' ' ' ARG . 2.1 t -119.56 132.66 55.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.683 ' HB2' HD11 ' A' ' 69' ' ' ILE . 9.6 tp -97.66 110.71 23.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -101.21 113.33 26.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.681 HG22 ' HB3' ' A' ' 42' ' ' PHE . 15.2 t -118.67 149.57 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.582 HD11 ' HA2' ' A' ' 62' ' ' GLY . 7.2 tp -102.38 134.51 45.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.968 ' O ' HG12 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -133.37 84.78 2.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.872 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 71.58 28.7 2.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.582 ' HA2' HD11 ' A' ' 59' ' ' LEU . . . 100.93 -3.28 55.71 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.497 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.968 HG12 ' O ' ' A' ' 60' ' ' ASP . 10.4 p -99.63 125.54 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.91 0.386 . . . . 0.0 111.095 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.922 HG13 HD12 ' A' ' 32' ' ' LEU . 17.0 t -88.76 98.11 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.51 ' O ' ' CE1' ' A' ' 67' ' ' TYR . 6.5 mttm -94.39 105.53 17.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.425 ' CD2' ' H ' ' A' ' 66' ' ' HIS . 2.4 m-70 -83.82 135.68 34.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.848 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.51 ' CE1' ' O ' ' A' ' 65' ' ' LYS . 47.2 m-85 -126.32 113.95 17.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.57 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -61.58 139.7 58.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.683 HD11 ' HB2' ' A' ' 56' ' ' LEU . 56.2 mt -118.56 101.8 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -79.44 165.22 23.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -125.72 154.72 42.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.544 HD21 ' CD1' ' A' ' 78' ' ' PHE . 2.9 mm? . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.85 0.357 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.637 ' HB3' HG13 ' A' ' 84' ' ' VAL . 6.4 p90 -152.05 128.87 10.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 68' ' ' ARG . 9.5 tp -85.46 -24.88 27.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.1 t -143.03 136.78 28.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.437 ' HD3' ' CE2' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -55.28 -13.01 1.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -70.19 -27.0 64.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -153.7 144.41 22.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.637 HG13 ' HB3' ' A' ' 78' ' ' PHE . 97.6 t -132.08 137.0 55.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.515 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 31.1 m-85 -108.71 -176.57 3.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.5 m -102.83 -52.84 2.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.0 p -132.13 160.67 35.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.485 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 83.5 mt -46.5 -25.84 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -61.58 -69.2 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.957 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -58.15 -21.96 49.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.515 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 2.9 t80 -63.82 -41.69 97.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.83 HG11 ' CE2' ' A' ' 42' ' ' PHE . 92.4 t -92.67 -37.52 8.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -22.24 56.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -87.62 -63.74 1.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -48.42 -36.99 15.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -48.96 -30.01 5.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.5 p -86.08 -23.51 26.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.171 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.425 ' N ' ' HD2' ' A' ' 105' ' ' LYS . 9.1 t -161.98 139.88 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.5 p -67.89 -33.02 73.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 39.0 t70 57.33 43.39 23.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.93 -33.24 6.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 103' ' ' CYS . 4.1 mt -48.75 133.0 17.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 102' ' ' LEU . 4.5 m -34.42 -42.26 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.495 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.3 p -143.31 158.13 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.082 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.495 ' N ' HG22 ' A' ' 104' ' ' VAL . 19.7 ttpp -91.35 125.99 36.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.442 ' CD2' HG21 ' A' ' 58' ' ' VAL . 24.5 mt -52.66 116.66 2.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -93.22 -71.04 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -135.84 152.82 76.56 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.561 0.696 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 140.84 43.81 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.649 2.232 . . . . 0.0 112.363 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.5 t -52.38 167.59 0.13 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.4 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.427 HD21 ' HB2' ' A' ' 88' ' ' LEU . 3.4 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.751 0.31 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -51.61 -17.31 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.56 -28.34 23.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -62.22 131.28 93.54 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.628 0.728 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -46.17 1.33 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.8 p-90 -62.82 -16.65 59.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -85.91 110.67 19.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.617 ' O ' HG23 ' A' ' 23' ' ' ILE . 7.2 m-85 -110.04 40.91 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 47.42 -122.72 7.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.51 102.19 9.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.702 0.287 . . . . 0.0 111.094 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.617 HG23 ' O ' ' A' ' 20' ' ' PHE . 9.4 pt -128.72 163.05 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.152 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.3 168.14 14.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 4.2 ptm180 -58.59 -35.72 72.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.415 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -61.26 -43.72 98.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -70.5 -41.78 72.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.542 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -70.11 -33.68 72.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.617 ' HG2' HG11 ' A' ' 64' ' ' VAL . 20.9 mt-10 -70.37 -61.03 1.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -46.56 -40.03 12.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.822 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.487 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 16.1 mm-40 -66.44 -30.68 71.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.574 HD11 ' C ' ' A' ' 57' ' ' SER . 14.3 mt -80.52 -50.72 9.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.419 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 6.6 mt -59.8 -16.62 29.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.426 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 8.5 t80 -36.87 153.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.1 t -68.85 -66.77 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.829 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -40.58 -29.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.945 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 88.6 m-20 -85.63 148.63 25.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.651 ' C ' HD23 ' A' ' 59' ' ' LEU . 6.0 pt20 -138.14 -179.28 5.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.405 ' N ' ' HG3' ' A' ' 38' ' ' GLN . 97.6 m -46.61 113.18 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.02 -35.56 2.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.526 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 108' ' ' LYS . . . -47.33 115.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 0.0 111.105 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.799 ' CE2' HG11 ' A' ' 92' ' ' VAL . 39.5 p90 -119.72 158.38 26.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.503 ' C ' HD12 ' A' ' 43' ' ' LEU . 0.8 OUTLIER -163.94 132.37 3.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -104.05 148.23 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.064 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 57' ' ' SER . 6.7 ptt-85 -146.29 164.15 33.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.441 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 27.0 mt-10 -82.28 125.51 31.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.791 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.84 0.352 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.441 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 83.2 m-85 -139.52 163.6 32.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.414 ' O ' ' NH1' ' A' ' 45' ' ' ARG . 67.0 m -135.66 132.85 37.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.892 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.8 tp -99.6 118.81 36.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.574 ' C ' HD11 ' A' ' 32' ' ' LEU . 1.1 t -110.28 115.41 29.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.663 HG22 ' HB3' ' A' ' 42' ' ' PHE . 24.1 t -121.71 153.11 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.148 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.651 HD23 ' C ' ' A' ' 38' ' ' GLN . 11.6 tp -100.23 129.53 46.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.951 ' O ' HG12 ' A' ' 63' ' ' VAL . 4.0 t70 -134.43 85.16 2.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 71.05 50.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.419 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 77.68 -6.49 46.46 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.472 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.951 HG12 ' O ' ' A' ' 60' ' ' ASP . 2.8 p -98.0 156.93 3.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.811 0.339 . . . . 0.0 111.182 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.617 HG11 ' HG2' ' A' ' 29' ' ' GLU . 87.2 t -116.06 108.21 24.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -87.62 105.45 17.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.89 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -83.52 110.44 18.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.621 ' HB3' HD11 ' A' ' 79' ' ' LEU . 81.3 m-85 -107.26 122.37 46.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.929 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -73.07 126.71 30.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 41.4 mt -98.75 103.73 15.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.35 147.42 24.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.58 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 35.2 mtp180 -114.15 152.49 31.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.746 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.58 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 30.3 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.746 ' CE1' HD11 ' A' ' 72' ' ' LEU . 4.2 p90 -161.07 130.33 4.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.621 HD11 ' HB3' ' A' ' 67' ' ' TYR . 13.9 tp -91.98 -14.42 29.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.509 HG23 ' HG2' ' A' ' 82' ' ' ARG . 1.9 t -153.99 118.46 4.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 80' ' ' THR . 18.1 mmm180 -33.74 -44.9 0.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.529 ' CG ' ' N ' ' A' ' 83' ' ' LYS . 0.4 OUTLIER -42.76 -49.98 5.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.591 ' HE3' ' CE1' ' A' ' 94' ' ' TYR . 3.1 tppt? -118.91 155.32 31.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.447 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 64.3 t -147.53 138.63 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.549 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 23.2 m-85 -115.88 -177.61 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.8 m -110.3 -44.48 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.2 p -131.76 154.59 48.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.427 ' HB2' HD21 ' A' ' 13' ' ' LEU . 90.9 mt -47.21 -25.61 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -63.32 -61.8 2.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -64.67 -15.13 60.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.551 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.6 t80 -71.21 -40.52 71.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.799 HG11 ' CE2' ' A' ' 42' ' ' PHE . 84.1 t -92.0 -36.21 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -60.46 -13.42 13.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.591 ' CE1' ' HE3' ' A' ' 83' ' ' LYS . 32.6 t80 -93.29 -63.17 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.434 ' CD1' HD12 ' A' ' 102' ' ' LEU . 51.1 m-85 -54.28 -27.57 36.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.54 -14.25 1.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.191 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.406 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 2.2 p -101.95 -29.79 11.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.204 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.2 t -156.87 152.55 26.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.493 ' HB3' ' CA ' ' A' ' 105' ' ' LYS . 88.1 p -102.91 31.79 4.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.826 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 99' ' ' SER . 16.2 m-20 -34.15 102.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.5 -44.77 3.07 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.434 HD12 ' CD1' ' A' ' 95' ' ' TYR . 3.0 mt -60.05 149.76 31.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.804 0.335 . . . . 0.0 110.899 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 35.8 t -62.25 -36.74 82.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.495 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.3 p -141.65 158.33 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.495 ' N ' HG22 ' A' ' 104' ' ' VAL . 23.9 ttpt -92.62 128.81 38.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 16.8 mt -57.86 110.66 0.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.007 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -93.94 -53.58 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.43 ' C ' ' CE1' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -144.11 154.8 58.32 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.582 0.706 . . . . 0.0 110.815 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 164.9 32.82 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.732 2.288 . . . . 0.0 112.323 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.475 ' CB ' ' HB3' ' A' ' 43' ' ' LEU . 42.2 t -78.01 150.21 33.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.7 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.5 tt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.795 0.331 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -55.89 -26.61 48.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.92 -28.62 67.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -53.83 134.48 56.58 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.727 0.775 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -46.09 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.741 2.294 . . . . 0.0 112.292 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.439 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 21.3 p-90 -69.07 -14.91 63.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.956 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.448 ' CG ' HD22 ' A' ' 13' ' ' LEU . 14.3 t80 -87.53 115.12 24.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.434 ' O ' HG23 ' A' ' 23' ' ' ILE . 11.0 m-85 -113.68 29.65 7.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.09 -121.2 25.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.7 103.43 10.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.32 . . . . 0.0 111.186 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.506 HD11 ' HB2' ' A' ' 28' ' ' ALA . 17.5 pt -132.64 163.55 37.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -92.45 161.76 14.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -52.71 -34.46 52.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.99 -46.26 88.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.075 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -69.73 -40.75 76.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.506 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -65.04 -46.59 80.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.866 ' HG2' HG21 ' A' ' 64' ' ' VAL . 19.8 mt-10 -56.07 -59.79 4.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -38.94 -39.55 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -70.76 -37.14 73.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.507 HD12 HG13 ' A' ' 64' ' ' VAL . 59.7 mt -73.59 -51.32 17.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.435 HD11 ' O ' ' A' ' 62' ' ' GLY . 3.9 mm? -58.96 -18.5 34.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.776 ' CD2' HD21 ' A' ' 111' ' ' LEU . 3.7 t80 -36.27 152.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.4 t -72.94 -57.72 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -47.87 -31.48 5.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.436 ' OD1' HD23 ' A' ' 111' ' ' LEU . 88.4 m-20 -84.62 144.04 28.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -131.76 -179.44 5.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.2 m -44.54 114.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.78 -32.24 3.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.31 121.45 5.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.767 0.317 . . . . 0.0 111.052 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.811 ' HB3' HG22 ' A' ' 58' ' ' VAL . 35.9 p90 -127.18 161.34 28.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.595 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.5 pp -168.25 129.89 1.39 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.4 mp -100.01 149.07 6.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 ptt85 -142.73 160.98 39.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -79.55 125.43 29.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.4 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.795 -179.774 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 t70 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.777 0.322 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -152.74 156.91 40.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.789 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 m -129.65 123.99 32.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.824 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.5 tp -93.2 121.88 35.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.457 ' C ' HD11 ' A' ' 32' ' ' LEU . 16.8 m -114.06 109.5 18.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.811 HG22 ' HB3' ' A' ' 42' ' ' PHE . 46.9 t -113.24 154.64 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.45 HD11 ' HA2' ' A' ' 62' ' ' GLY . 22.1 tp -103.09 131.87 49.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.956 ' O ' HG12 ' A' ' 63' ' ' VAL . 2.1 t70 -134.78 81.82 1.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 71.14 42.27 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.45 ' HA2' HD11 ' A' ' 59' ' ' LEU . . . 89.2 -10.3 73.6 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.447 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.956 HG12 ' O ' ' A' ' 60' ' ' ASP . 6.4 p -94.07 150.9 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 111.096 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.866 HG21 ' HG2' ' A' ' 29' ' ' GLU . 55.0 t -113.14 109.95 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.586 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -90.9 107.89 19.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -83.44 110.28 18.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.822 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.595 ' HB3' HD11 ' A' ' 79' ' ' LEU . 83.1 m-85 -107.72 116.37 31.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -69.94 130.88 43.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.2 mt -103.3 99.7 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.465 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 27.6 mtp180 -83.32 152.44 25.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.461 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 8.6 mtp-105 -116.99 151.04 37.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.682 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.461 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 35.4 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.979 0.418 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.709 ' CB ' HG22 ' A' ' 84' ' ' VAL . 6.4 p90 -153.2 130.87 11.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.595 HD11 ' HB3' ' A' ' 67' ' ' TYR . 12.6 tp -87.44 -25.45 23.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.428 HG23 ' H ' ' A' ' 83' ' ' LYS . 5.5 t -145.77 129.4 17.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.7 tpt85 -46.0 -21.95 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -65.72 -39.75 91.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.596 ' HD2' ' CZ ' ' A' ' 85' ' ' PHE . 6.8 tmtm? -135.37 142.53 45.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.709 HG22 ' CB ' ' A' ' 78' ' ' PHE . 48.3 t -130.51 154.35 40.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.596 ' CZ ' ' HD2' ' A' ' 83' ' ' LYS . 39.2 m-85 -128.26 179.2 5.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.7 m -102.03 -50.23 3.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 89' ' ' ASN . 68.6 p -133.15 154.32 50.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.197 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.439 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 84.8 mt -42.72 -24.91 0.07 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 87' ' ' THR . 2.5 t-20 -62.59 -67.44 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.916 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -60.72 -14.58 21.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.53 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.9 t80 -71.41 -38.42 71.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.842 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.77 HG11 ' CE2' ' A' ' 42' ' ' PHE . 95.1 t -92.78 -37.59 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.124 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.67 -9.83 4.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.525 ' O ' HG23 ' A' ' 97' ' ' THR . 47.8 t80 -94.52 -69.19 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.596 ' CD1' HD12 ' A' ' 102' ' ' LEU . 44.1 m-85 -49.98 -27.13 4.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 92' ' ' VAL . 5.7 p -52.47 -18.51 1.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 94' ' ' TYR . 2.8 p -92.22 -40.16 11.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.7 t -153.12 161.02 42.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 101' ' ' GLY . 24.3 p -103.17 34.0 3.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 99' ' ' SER . 23.6 m-20 -37.12 93.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 97.1 -40.72 2.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.489 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.596 HD12 ' CD1' ' A' ' 95' ' ' TYR . 3.0 mt -66.15 146.21 54.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.347 . . . . 0.0 110.953 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 43.9 t -55.91 -38.84 70.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.507 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.3 p -141.09 158.79 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.507 ' N ' HG22 ' A' ' 104' ' ' VAL . 18.1 ttpt -91.89 130.52 37.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.2 mt -58.77 115.47 3.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -93.56 -62.72 1.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -143.53 152.51 56.83 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.597 0.713 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 142.91 49.2 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.701 2.267 . . . . 0.0 112.297 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.4 t -49.11 170.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.776 HD21 ' CD2' ' A' ' 34' ' ' TYR . 1.4 pp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.6 tt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.764 0.316 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -56.89 -33.18 66.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.74 -31.36 70.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -49.16 131.29 16.38 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.722 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -45.49 1.57 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.718 2.279 . . . . 0.0 112.256 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.429 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 18.9 p-90 -70.0 -10.08 57.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.967 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.517 ' CD2' HD22 ' A' ' 13' ' ' LEU . 12.7 t80 -92.31 115.55 28.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.601 ' O ' HG23 ' A' ' 23' ' ' ILE . 3.1 m-85 -115.11 40.96 2.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 46.05 -119.79 4.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.41 104.25 11.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 111.108 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.601 HG23 ' O ' ' A' ' 20' ' ' PHE . 18.9 pt -131.99 162.55 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.168 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -92.74 161.5 14.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.49 ' HB2' ' CE1' ' A' ' 66' ' ' HIS . 9.9 ptp180 -49.91 -34.4 20.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.49 -48.1 79.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 5.4 m-20 -65.13 -37.28 86.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.501 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -73.39 -38.86 65.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.513 ' HG2' HG21 ' A' ' 64' ' ' VAL . 11.9 mt-10 -62.93 -66.81 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -42.34 -32.76 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 15.7 mm-40 -73.49 -36.42 65.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.96 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.806 HD12 HG13 ' A' ' 64' ' ' VAL . 34.6 mt -76.73 -45.18 30.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.944 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.562 HD11 ' O ' ' A' ' 62' ' ' GLY . 4.0 mm? -63.59 -11.44 24.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -41.06 159.2 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.8 t -72.6 -59.46 2.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -49.78 -37.19 28.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -80.67 146.23 31.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.429 ' C ' HD23 ' A' ' 59' ' ' LEU . 1.3 pt20 -143.73 -177.54 5.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.4 m -38.95 115.39 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.75 -34.92 3.16 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.414 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.408 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -47.26 110.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 111.09 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.78 ' CE2' HG11 ' A' ' 92' ' ' VAL . 21.2 p90 -115.19 156.66 24.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.559 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.4 pp -166.78 131.1 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.406 HD13 ' CE3' ' A' ' 18' ' ' TRP . 3.7 mp -99.37 150.64 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 ptt85 -145.88 157.86 43.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.467 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 10.1 mt-10 -78.25 137.76 38.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.755 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.875 0.369 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.467 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 44.9 m-85 -138.69 164.5 29.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 t -134.69 130.28 36.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.7 tp -93.13 118.71 31.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.76 107.27 17.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.721 HG11 HG13 ' A' ' 104' ' ' VAL . 19.5 t -113.41 137.75 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.07 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.473 HD22 ' O ' ' A' ' 32' ' ' LEU . 25.0 tp -90.79 133.41 35.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.974 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.948 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.1 t70 -134.82 80.47 1.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 72.46 40.33 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.562 ' O ' HD11 ' A' ' 33' ' ' LEU . . . 92.3 -11.2 72.69 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.948 HG12 ' O ' ' A' ' 60' ' ' ASP . 9.7 p -92.5 140.39 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.842 0.353 . . . . 0.0 111.148 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.806 HG13 HD12 ' A' ' 32' ' ' LEU . 17.2 t -108.11 106.8 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.163 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.445 ' HE3' HG11 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -90.81 108.14 19.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.929 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.49 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 76.4 m-70 -83.74 111.63 19.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.644 ' HB3' HD11 ' A' ' 79' ' ' LEU . 70.8 m-85 -107.19 109.84 21.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.951 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.51 107.74 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.1 mt -74.03 98.52 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.432 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 11.0 mmm180 -73.4 154.09 40.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.582 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 12.8 mtp-105 -129.7 147.89 51.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.523 HD11 ' CE2' ' A' ' 78' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.582 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 48.6 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.523 ' CE2' HD11 ' A' ' 72' ' ' LEU . 2.5 p90 -161.99 129.28 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.644 HD11 ' HB3' ' A' ' 67' ' ' TYR . 11.2 tp -87.26 -21.75 25.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.8 t -147.65 149.9 33.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 20.4 mmm-85 -66.55 -4.8 9.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -99.0 12.45 35.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.456 ' HE2' ' CD2' ' A' ' 94' ' ' TYR . 16.7 tptt -167.54 155.46 9.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.454 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 97.2 t -158.1 143.98 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.415 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 26.0 m-85 -124.24 -174.95 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.9 m -108.28 -39.41 5.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 66.7 p -137.94 154.81 49.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.441 HD12 HD11 ' A' ' 13' ' ' LEU . 94.3 mt -48.91 -26.87 2.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -64.1 -62.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.501 ' HA ' ' ND2' ' A' ' 93' ' ' ASN . 10.0 mt-10 -62.13 -10.08 9.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.591 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 0.4 OUTLIER -80.57 -32.07 36.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.78 HG11 ' CE2' ' A' ' 42' ' ' PHE . 89.7 t -92.69 -33.9 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.501 ' ND2' ' HA ' ' A' ' 90' ' ' GLU . 22.7 p30 -66.39 -15.36 63.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.471 ' N ' ' OD1' ' A' ' 93' ' ' ASN . 13.3 t80 -87.74 -49.2 7.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -75.3 -4.05 36.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 92' ' ' VAL . 0.8 OUTLIER -76.12 -17.2 59.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 35.0 p -102.62 -21.15 14.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.5 t -164.98 149.95 9.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.162 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.0 p -87.54 -25.28 23.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.1 p30 43.74 48.72 6.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . 109.95 -48.14 0.97 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 103' ' ' CYS . 3.6 mt -37.66 133.2 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.752 0.311 . . . . 0.0 110.966 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.859 ' SG ' HG12 ' A' ' 104' ' ' VAL . 15.7 p -34.19 -39.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.859 HG12 ' SG ' ' A' ' 103' ' ' CYS . 2.4 p -150.89 159.91 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.534 ' N ' HG22 ' A' ' 104' ' ' VAL . 0.2 OUTLIER -90.15 128.83 36.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 21.5 mt -55.47 127.01 27.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -109.92 -67.51 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -136.86 151.12 71.74 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.54 0.686 . . . . 0.0 110.996 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 144.77 55.71 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.404 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 23.7 t -56.7 158.92 4.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.2 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 -179.93 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.7 tt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.745 0.307 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -58.62 -27.83 65.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.34 -28.12 65.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -49.1 133.82 15.59 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.636 0.732 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.402 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 54.1 Cg_endo -69.81 -42.25 3.52 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.7 2.267 . . . . 0.0 112.377 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.444 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 14.0 p-90 -73.05 -15.79 61.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.488 ' CD2' HD22 ' A' ' 13' ' ' LEU . 8.1 t80 -87.02 128.69 35.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.545 ' O ' HG23 ' A' ' 23' ' ' ILE . 11.5 m-85 -130.37 38.22 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 49.72 -123.76 14.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.4 103.62 10.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.78 0.324 . . . . 0.0 111.132 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.817 HD11 ' HB2' ' A' ' 28' ' ' ALA . 19.4 pt -127.32 173.34 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt -100.37 162.5 12.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.2 ptt-85 -53.05 -32.83 48.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.26 -46.66 69.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -67.92 -30.68 70.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.817 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -82.88 -36.25 25.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.599 ' HG2' HG21 ' A' ' 64' ' ' VAL . 27.7 mt-10 -69.04 -48.6 62.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 ptmm? -55.22 -43.61 74.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -65.95 -32.65 74.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.8 mt -74.47 -55.75 5.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 10.1 mt -54.07 -20.17 6.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.923 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' A' ' 33' ' ' LEU . 9.8 t80 -35.05 152.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 36' ' ' GLU . 2.4 m -65.46 -71.39 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 35' ' ' SER . 35.6 mm-40 -34.16 -38.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -78.56 142.7 37.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.465 ' C ' HD23 ' A' ' 59' ' ' LEU . 2.6 pm0 -136.16 177.64 7.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' GLN . 80.9 m -37.68 116.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.78 -36.76 2.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.11 113.53 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.846 ' CE2' HG11 ' A' ' 92' ' ' VAL . 18.0 p90 -120.4 156.08 32.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.42 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.3 pp -166.48 131.48 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 mp -100.63 143.64 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.18 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 ptt85 -139.42 157.38 45.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -83.15 140.01 32.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.444 ' HB3' ' CG ' ' A' ' 53' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.444 ' CG ' ' HB3' ' A' ' 47' ' ' SER . 2.8 p30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.813 0.34 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -152.18 153.98 34.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.1 m -133.43 125.8 29.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.801 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.442 HD23 HD21 ' A' ' 79' ' ' LEU . 10.4 tp -92.89 117.44 30.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.4 m -110.29 109.41 19.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.751 HG22 ' HB3' ' A' ' 42' ' ' PHE . 19.4 t -113.13 151.81 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.465 HD23 ' C ' ' A' ' 38' ' ' GLN . 25.2 tp -97.15 131.8 43.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.974 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.951 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.6 t70 -134.97 82.68 1.97 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.891 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 69.59 44.57 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.495 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 87.54 -11.19 66.78 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.485 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.951 HG12 ' O ' ' A' ' 60' ' ' ASP . 5.1 p -93.46 153.93 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 111.097 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.599 HG21 ' HG2' ' A' ' 29' ' ' GLU . 79.9 t -116.88 107.62 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.087 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -87.8 109.15 19.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -84.73 110.32 18.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 89.2 m-85 -106.43 114.84 29.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.1 tpp85 -67.62 120.51 14.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.471 HG12 HD13 ' A' ' 79' ' ' LEU . 58.8 mt -93.05 99.15 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.152 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 2.8 mmp_? -83.44 152.6 24.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.446 ' C ' HD13 ' A' ' 72' ' ' LEU . 6.8 mtp-105 -115.61 156.64 25.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.685 HD11 ' CD1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.44 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 42.8 m-85 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.685 ' CD1' HD11 ' A' ' 72' ' ' LEU . 7.4 p90 -151.98 131.7 13.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.471 HD13 HG12 ' A' ' 69' ' ' ILE . 12.1 tp -91.17 -15.27 29.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.476 HG23 ' H ' ' A' ' 83' ' ' LYS . 7.1 t -156.12 125.75 6.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -41.23 -27.48 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -59.14 -45.63 90.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.55 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 49.3 tptt -129.12 147.9 51.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.626 HG22 ' CB ' ' A' ' 78' ' ' PHE . 74.1 t -138.08 153.96 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.128 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.518 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 23.7 m-85 -131.42 -177.46 4.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 71.0 m -105.75 -52.16 2.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 52.9 p -123.6 160.55 26.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.192 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.444 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 59.6 mt -52.01 -26.97 11.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -62.72 -59.86 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.816 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.18 -15.32 62.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.3 t80 -71.79 -41.78 67.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.846 HG11 ' CE2' ' A' ' 42' ' ' PHE . 96.9 t -91.84 -35.47 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -59.95 -12.45 7.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.55 ' CE2' ' HE2' ' A' ' 83' ' ' LYS . 34.9 t80 -96.04 -58.5 2.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.943 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -61.82 -16.31 48.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 92' ' ' VAL . 3.2 p -66.56 -16.98 64.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.8 p -92.53 -33.75 14.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.159 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.9 t -155.75 170.54 21.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 79.1 p -111.8 49.25 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -49.61 96.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.11 -44.34 2.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.476 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.46 HD23 ' CZ ' ' A' ' 67' ' ' TYR . 3.0 mt -57.88 149.66 22.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.34 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 55.8 m -60.55 -37.49 81.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.525 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.3 p -141.01 159.64 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.525 ' N ' HG22 ' A' ' 104' ' ' VAL . 12.2 ttmt -90.25 131.08 36.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 21.6 mt -59.16 116.31 3.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -96.72 -68.65 0.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -137.01 151.22 71.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.549 0.69 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 144.8 55.64 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.723 2.282 . . . . 0.0 112.396 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 43.4 t -60.91 144.12 53.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.1 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.903 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.8 tt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.703 0.287 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 4.9 pt20 -57.17 -32.23 66.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.429 ' N ' ' HG3' ' A' ' 14' ' ' GLN . . . -61.33 -28.46 69.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -54.6 131.66 64.2 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.615 0.722 . . . . 0.0 110.942 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 -46.95 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.652 2.235 . . . . 0.0 112.329 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.463 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 13.9 p-90 -67.1 -8.39 30.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.442 ' CD2' HD22 ' A' ' 13' ' ' LEU . 9.7 t80 -93.11 112.87 24.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.577 ' O ' HG23 ' A' ' 23' ' ' ILE . 16.9 m-85 -114.18 30.77 7.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 49.83 -139.78 17.31 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.418 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.51 108.97 20.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.763 0.316 . . . . 0.0 111.094 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.747 HD11 ' HB2' ' A' ' 28' ' ' ALA . 16.8 pt -138.24 163.67 28.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -94.84 155.8 16.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -47.24 -31.28 3.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.29 -44.04 84.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -68.03 -43.67 78.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.747 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -68.77 -46.99 67.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.432 ' HA ' HG21 ' A' ' 64' ' ' VAL . 11.4 mt-10 -58.65 -35.05 71.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -67.38 -41.51 84.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -71.51 -32.58 68.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.441 HD22 ' O ' ' A' ' 41' ' ' ALA . 86.4 mt -76.9 -53.42 7.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 18.2 mt -58.38 -12.87 4.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -41.33 158.15 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.1 t -71.0 -60.6 2.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -46.03 -33.16 3.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -83.72 149.79 26.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.456 ' C ' HD23 ' A' ' 59' ' ' LEU . 8.2 pt20 -146.8 -179.34 6.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 38' ' ' GLN . 85.9 m -35.98 117.36 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.138 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.64 -37.81 2.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.441 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -42.32 113.09 0.41 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.79 0.329 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.707 ' CB ' HG22 ' A' ' 58' ' ' VAL . 24.3 p90 -119.11 162.03 19.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.465 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.0 OUTLIER -171.02 126.83 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.0 mp -99.04 137.25 27.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.0 ptt85 -131.63 166.56 21.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.464 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 9.1 mt-10 -87.11 128.11 35.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.687 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.903 0.383 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.464 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 87.4 m-85 -146.68 147.53 31.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.0 m -122.31 126.7 48.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.628 ' HB2' HD11 ' A' ' 69' ' ' ILE . 6.4 tp -95.48 112.44 24.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.988 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.1 m -105.45 122.22 45.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.707 HG22 ' CB ' ' A' ' 42' ' ' PHE . 16.6 t -127.82 142.92 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.666 HD11 ' HA2' ' A' ' 62' ' ' GLY . 49.5 tp -89.97 135.98 33.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.974 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.489 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.1 t70 -134.94 77.27 1.67 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.814 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 74.98 25.03 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.666 ' HA2' HD11 ' A' ' 59' ' ' LEU . . . 110.79 -14.2 29.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.464 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 60' ' ' ASP . 3.0 p -99.65 130.22 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.118 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.432 HG21 ' HA ' ' A' ' 29' ' ' GLU . 70.8 t -94.23 110.85 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.597 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -87.33 108.08 18.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 15.1 m80 -83.48 112.18 19.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.597 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 88.0 m-85 -106.49 125.68 51.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.4 ttm-85 -72.85 123.74 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.628 HD11 ' HB2' ' A' ' 56' ' ' LEU . 56.9 mt -102.03 98.11 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.474 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 98.3 mtt180 -80.86 156.44 26.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.958 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.502 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 5.2 mtp-105 -120.38 148.94 43.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.611 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.949 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.502 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 32.8 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.915 0.388 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.611 ' CE1' HD11 ' A' ' 72' ' ' LEU . 7.7 p90 -156.79 130.32 8.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.484 HD11 ' HB3' ' A' ' 67' ' ' TYR . 12.1 tp -86.7 -24.21 25.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.5 ' CG2' ' HG2' ' A' ' 82' ' ' ARG . 10.0 t -145.77 143.4 29.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.533 ' HD3' ' CE2' ' A' ' 78' ' ' PHE . 18.0 mmt180 -59.55 -13.58 9.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.5 ' HG2' ' CG2' ' A' ' 80' ' ' THR . 3.1 ptp180 -86.12 -0.22 55.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.517 ' HE2' ' CZ ' ' A' ' 94' ' ' TYR . 15.0 mmmt -155.94 161.05 40.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 83' ' ' LYS . 92.7 t -161.0 137.15 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.517 ' CG ' ' HA ' ' A' ' 91' ' ' PHE . 24.0 m-85 -120.16 -177.03 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.1 m -104.42 -52.5 2.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 47.1 p -128.64 155.86 44.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.492 HD12 HD11 ' A' ' 13' ' ' LEU . 84.6 mt -45.18 -26.39 0.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -62.34 -68.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -56.94 -25.85 58.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.559 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.1 t80 -62.33 -38.2 88.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 70.6 t -92.46 -39.91 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.041 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -54.77 -25.32 27.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.517 ' CZ ' ' HE2' ' A' ' 83' ' ' LYS . 33.7 t80 -80.02 -60.26 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.43 ' O ' ' N ' ' A' ' 98' ' ' THR . 43.5 m-85 -54.85 -43.03 72.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.8 p -42.13 -25.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.12 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 95' ' ' TYR . 11.9 p -89.16 -37.44 15.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 95' ' ' TYR . 13.3 t -152.2 145.3 24.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 89.0 p -68.13 -31.83 71.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.828 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.3 t0 60.47 29.06 18.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 109.36 -28.18 11.33 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.548 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 103' ' ' CYS . 2.7 mt -49.88 135.19 20.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.339 . . . . 0.0 110.874 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 102' ' ' LEU . 42.4 t -33.89 -39.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.453 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 1.4 p -149.25 155.12 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.453 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 32.6 ttpt -87.73 132.16 34.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.479 ' CD2' HG21 ' A' ' 58' ' ' VAL . 26.7 mt -60.14 106.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.949 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.13 -70.79 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -135.22 152.33 76.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.531 0.682 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 151.89 69.2 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.703 2.269 . . . . 0.0 112.311 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 11.1 t -60.52 166.34 3.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 14.5 mt . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.966 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.486 HD23 ' HG3' ' A' ' 16' ' ' GLU . 6.3 mt . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.751 0.31 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -54.43 -21.2 9.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.48 -29.85 23.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.075 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.486 ' HG3' HD23 ' A' ' 13' ' ' LEU . 75.3 mm-40 -55.31 129.72 68.68 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.666 0.746 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -40.83 4.83 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 21.5 p-90 -69.25 -15.41 63.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -86.63 128.19 34.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.802 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.649 ' O ' HG23 ' A' ' 23' ' ' ILE . 5.9 m-85 -129.18 42.66 3.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 44.27 -123.36 4.95 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.03 100.87 8.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.709 0.29 . . . . 0.0 111.051 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.668 HD11 ' HB2' ' A' ' 28' ' ' ALA . 18.9 pt -129.25 162.85 35.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.108 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -92.14 154.62 18.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.947 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -47.16 -28.35 1.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.4 -47.42 67.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -68.96 -31.96 71.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.668 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -78.71 -41.63 30.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.053 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.565 ' HG2' HG21 ' A' ' 64' ' ' VAL . 13.8 mt-10 -59.62 -59.19 5.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -45.85 -33.04 2.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.447 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 19.3 mm-40 -73.87 -38.14 64.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.3 mt -74.98 -53.49 8.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 20.3 mt -55.87 -13.87 2.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -43.94 168.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 37' ' ' ASN . 95.6 p -82.54 -66.62 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.821 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -38.81 -26.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 35' ' ' SER . 92.0 m-20 -88.87 144.95 25.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.406 ' C ' HD23 ' A' ' 59' ' ' LEU . 9.8 pt20 -132.42 178.45 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.479 HG23 ' HA ' ' A' ' 60' ' ' ASP . 73.2 m -46.86 110.19 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.68 -33.52 2.4 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.455 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.89 120.19 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 111.092 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.828 ' CE2' HG11 ' A' ' 92' ' ' VAL . 39.0 p90 -125.16 151.23 46.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.615 HD21 ' HB1' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -155.98 134.6 11.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -104.65 148.65 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.07 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 57' ' ' SER . 2.5 ptt-85 -145.59 164.4 31.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.56 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 24.6 mt-10 -87.68 139.26 30.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.853 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.484 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 4.1 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.839 0.352 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 71.8 m-85 -154.98 158.26 38.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.451 ' O ' ' NH1' ' A' ' 45' ' ' ARG . 62.7 m -129.54 134.94 48.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.838 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 tp -101.94 107.5 18.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -97.77 116.37 29.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.642 HG22 ' HB3' ' A' ' 42' ' ' PHE . 23.1 t -121.3 151.58 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.116 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.487 HD11 ' HA2' ' A' ' 62' ' ' GLY . 16.9 tp -102.83 131.03 50.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.977 ' O ' HG12 ' A' ' 63' ' ' VAL . 3.6 t70 -134.96 86.89 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 68.57 34.35 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.5 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 97.28 -14.35 63.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.546 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.977 HG12 ' O ' ' A' ' 60' ' ' ASP . 9.8 p -90.01 152.77 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.924 0.392 . . . . 0.0 111.118 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.565 HG21 ' HG2' ' A' ' 29' ' ' GLU . 97.5 t -116.93 107.17 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.197 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.54 ' HE3' HG11 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -90.39 109.83 20.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -83.25 114.88 21.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.737 ' CE1' HD23 ' A' ' 102' ' ' LEU . 93.4 m-85 -106.46 119.09 38.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -68.69 115.28 7.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.434 HD12 ' HB3' ' A' ' 54' ' ' PHE . 44.8 mt -87.76 96.22 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.158 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 12.3 mmm-85 -73.46 156.11 38.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.583 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 12.0 mtp-105 -131.33 148.9 52.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.682 HD11 ' CD2' ' A' ' 78' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.583 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 28.3 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.828 0.347 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.682 ' CD2' HD11 ' A' ' 72' ' ' LEU . 2.9 p90 -160.56 129.17 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 67' ' ' TYR . 10.8 tp -87.11 -14.85 40.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.622 HG23 ' H ' ' A' ' 83' ' ' LYS . 9.6 t -154.98 125.55 6.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -42.45 -23.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 80' ' ' THR . 10.4 mmm180 -65.88 -45.24 82.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.622 ' H ' HG23 ' A' ' 80' ' ' THR . 56.8 tptt -123.18 149.77 44.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.556 HG22 ' CB ' ' A' ' 78' ' ' PHE . 73.0 t -141.53 148.99 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.081 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.435 ' CG ' ' HA ' ' A' ' 91' ' ' PHE . 15.1 m-85 -124.87 -177.02 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.9 m -106.19 -49.03 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.81 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 66.4 p -133.19 154.43 50.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.129 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.466 ' HB2' HD21 ' A' ' 13' ' ' LEU . 96.0 mt -44.24 -27.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.912 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.417 ' OD1' ' ND2' ' A' ' 93' ' ' ASN . 2.3 t-20 -60.41 -65.35 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -61.0 -22.55 64.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.463 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 4.4 t80 -62.92 -40.46 97.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.828 HG11 ' CE2' ' A' ' 42' ' ' PHE . 94.0 t -92.0 -39.28 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.417 ' ND2' ' OD1' ' A' ' 89' ' ' ASN . 79.4 m-20 -57.28 -17.77 13.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -87.0 -63.78 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.45 ' CD2' ' O ' ' A' ' 91' ' ' PHE . 47.2 m-85 -47.39 -42.97 23.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.8 p -42.01 -24.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.203 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.429 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 4.8 p -90.87 -36.27 14.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 95' ' ' TYR . 7.4 t -156.3 130.58 8.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.617 ' O ' HD12 ' A' ' 102' ' ' LEU . 40.1 p -49.11 -45.37 43.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.5 t70 70.45 48.32 0.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.0 2.49 86.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.737 HD23 ' CE1' ' A' ' 67' ' ' TYR . 3.4 mt -85.39 134.37 34.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 102' ' ' LEU . 35.8 t -34.03 -41.48 0.1 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.416 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 1.6 p -146.46 153.48 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.188 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.429 ' HD2' ' C ' ' A' ' 97' ' ' THR . 20.7 ttpt -87.53 126.91 35.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 18.5 mt -54.98 115.97 2.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -99.17 -55.01 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.551 ' C ' ' CE1' ' A' ' 42' ' ' PHE . 1.7 ptpt -142.33 154.94 64.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 166.95 25.94 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.743 2.295 . . . . 0.0 112.318 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.478 ' CB ' ' HB3' ' A' ' 43' ' ' LEU . 54.1 t -79.42 143.26 35.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 -179.961 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.481 HD11 HD12 ' A' ' 88' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.785 0.326 . . . . 0.0 110.953 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -51.57 -29.25 16.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.03 -32.0 73.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -54.5 131.24 63.27 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.6 0.714 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -46.71 1.15 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.641 2.227 . . . . 0.0 112.433 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.443 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 11.1 p-90 -66.02 -8.71 24.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.468 ' CG ' ' CD2' ' A' ' 13' ' ' LEU . 12.4 t80 -91.81 119.17 31.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -118.58 18.25 13.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.28 -125.41 10.65 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' A' ' 46' ' ' GLU . . . -118.12 101.66 8.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.76 0.315 . . . . 0.0 111.108 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.481 HD11 ' HB2' ' A' ' 28' ' ' ALA . 8.1 pt -128.93 165.64 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -88.96 152.5 21.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 3.4 ptm180 -46.9 -35.3 6.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.408 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -62.84 -44.35 96.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -67.69 -35.46 78.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.481 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -72.27 -48.17 44.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 32' ' ' LEU . 22.7 mt-10 -51.21 -62.36 1.66 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.2 mttt -43.41 -41.78 4.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -68.38 -34.18 75.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.974 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.745 HD12 HG13 ' A' ' 64' ' ' VAL . 8.9 mt -74.46 -56.77 4.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 34' ' ' TYR . 12.9 mt -55.16 -18.82 6.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.437 ' C ' ' O ' ' A' ' 33' ' ' LEU . 7.3 t80 -35.31 148.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.5 m -64.78 -67.23 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.546 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 6.4 mm-40 -39.33 -33.91 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -84.19 141.76 30.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.546 ' NE2' ' O ' ' A' ' 36' ' ' GLU . 13.9 mp0 -132.66 171.6 13.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.79 HG23 ' HA ' ' A' ' 60' ' ' ASP . 91.5 m -36.88 111.73 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.05 -33.9 2.33 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.436 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.3 120.22 2.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.364 . . . . 0.0 111.11 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.823 ' CE2' HG11 ' A' ' 92' ' ' VAL . 29.7 p90 -127.71 144.24 51.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.594 ' O ' HD12 ' A' ' 43' ' ' LEU . 2.3 pp -152.76 130.7 11.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.491 HG21 HD22 ' A' ' 88' ' ' LEU . 3.7 mp -102.14 136.8 32.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.434 ' NH2' ' HB3' ' A' ' 57' ' ' SER . 10.2 ptt-85 -134.28 166.33 23.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.449 ' HB2' ' HB2' ' A' ' 22' ' ' ALA . 29.8 mt-10 -86.36 136.46 33.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.784 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.879 0.371 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -138.98 169.73 17.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.2 m -137.24 131.94 33.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.479 ' CD2' HD22 ' A' ' 79' ' ' LEU . 10.7 tp -99.11 111.59 23.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.434 ' HB3' ' NH2' ' A' ' 45' ' ' ARG . 1.7 p -108.29 120.38 42.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.674 HG22 ' HB3' ' A' ' 42' ' ' PHE . 15.5 t -124.73 148.93 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.568 HD11 ' HA2' ' A' ' 62' ' ' GLY . 7.4 tp -99.37 136.41 39.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.79 ' HA ' HG23 ' A' ' 39' ' ' THR . 1.0 OUTLIER -134.81 79.33 1.79 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.834 179.85 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 74.82 25.9 1.41 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.568 ' HA2' HD11 ' A' ' 59' ' ' LEU . . . 108.05 -12.27 37.55 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.637 HG12 ' O ' ' A' ' 60' ' ' ASP . 5.4 p -96.58 127.34 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 111.101 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.745 HG13 HD12 ' A' ' 32' ' ' LEU . 83.1 t -94.54 109.48 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.166 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.588 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -87.56 111.04 20.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.9 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -83.75 110.54 18.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.845 ' HB3' HD11 ' A' ' 79' ' ' LEU . 92.6 m-85 -106.99 116.09 31.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.434 ' O ' HD12 ' A' ' 79' ' ' LEU . 16.8 tpp180 -70.77 126.76 30.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.6 mt -99.57 101.23 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.482 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 23.7 mtp180 -87.13 142.55 27.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.6 mtp-105 -106.23 155.36 19.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.723 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.752 ' CB ' HG22 ' A' ' 84' ' ' VAL . 4.4 p90 -151.69 129.38 11.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.845 HD11 ' HB3' ' A' ' 67' ' ' TYR . 14.6 tp -89.68 -22.8 22.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.51 HG23 ' H ' ' A' ' 83' ' ' LYS . 6.6 t -144.91 124.48 13.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 81' ' ' ARG . 5.2 mmm180 -41.52 -24.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.443 ' NH2' ' OD2' ' A' ' 100' ' ' ASP . 30.2 mtm180 -62.57 -44.66 95.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.563 ' HE2' ' CE1' ' A' ' 94' ' ' TYR . 37.8 tptt -128.32 145.18 51.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.752 HG22 ' CB ' ' A' ' 78' ' ' PHE . 42.0 t -135.09 157.5 40.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.07 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.528 ' CG ' ' HA ' ' A' ' 91' ' ' PHE . 14.9 m-85 -134.68 -174.83 3.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.0 m -113.29 -45.41 3.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 44.6 p -130.49 152.59 49.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.491 HD22 HG21 ' A' ' 44' ' ' ILE . 96.6 mt -45.05 -27.86 0.63 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -62.52 -65.93 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -60.29 -16.49 34.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.0 OUTLIER -70.58 -39.23 73.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.823 HG11 ' CE2' ' A' ' 42' ' ' PHE . 61.1 t -92.65 -33.94 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -56.46 -30.65 63.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.563 ' CE1' ' HE2' ' A' ' 83' ' ' LYS . 87.3 t80 -78.11 -66.49 0.84 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.455 ' O ' ' N ' ' A' ' 97' ' ' THR . 39.6 m-85 -48.89 -43.7 39.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.903 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.564 HG23 HG12 ' A' ' 92' ' ' VAL . 1.9 p -41.29 -24.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 95' ' ' TYR . 9.8 p -89.32 -38.15 14.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.166 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 95' ' ' TYR . 6.6 t -150.44 158.75 44.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 101' ' ' GLY . 6.3 p -103.18 39.9 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.866 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.443 ' OD2' ' NH2' ' A' ' 82' ' ' ARG . 4.2 t70 -39.38 96.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 92.16 -42.77 2.71 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.52 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.56 HD23 ' CZ ' ' A' ' 67' ' ' TYR . 2.7 mt -59.25 146.76 38.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 9.0 m -59.95 -37.25 79.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.549 HG13 HG11 ' A' ' 58' ' ' VAL . 2.0 p -141.52 158.39 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.492 ' N ' HG22 ' A' ' 104' ' ' VAL . 30.5 ttpt -88.72 136.97 32.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.951 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.556 ' CD2' HG21 ' A' ' 58' ' ' VAL . 18.9 mt -67.06 105.81 1.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -83.39 -66.62 0.87 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -138.05 152.71 72.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.666 0.746 . . . . 0.0 110.835 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 145.85 58.47 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.752 2.301 . . . . 0.0 112.359 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 50.2 t -49.71 157.0 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.934 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.659 HD22 ' CD2' ' A' ' 19' ' ' PHE . 1.7 tt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.852 0.358 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -52.01 -31.15 28.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.6 -29.4 70.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -54.48 127.6 58.55 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.629 0.728 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 -47.2 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.754 2.303 . . . . 0.0 112.3 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.502 ' CH2' ' HB3' ' A' ' 88' ' ' LEU . 13.0 p-90 -64.04 -18.75 64.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.968 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.659 ' CD2' HD22 ' A' ' 13' ' ' LEU . 7.9 t80 -83.72 110.23 18.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -106.12 25.6 10.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 56.27 -126.37 40.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.37 107.43 17.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.341 . . . . 0.0 111.086 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.968 HD11 ' HB2' ' A' ' 28' ' ' ALA . 8.6 pt -131.21 178.48 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -104.73 156.12 18.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.539 ' N ' HH21 ' A' ' 45' ' ' ARG . 10.0 ptp180 -47.82 -36.24 11.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.845 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.88 -49.11 69.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.4 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . 6.0 t0 -58.8 -39.69 81.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.968 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -75.78 -40.91 54.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -63.44 -43.96 95.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 31' ' ' GLN . 5.6 ptpp? -61.41 -33.04 73.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.479 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 19.1 mm-40 -73.41 -34.34 65.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.943 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.58 HD12 HG13 ' A' ' 64' ' ' VAL . 55.9 mt -77.34 -50.77 12.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 25.2 mt -61.24 -13.4 18.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -44.66 169.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 37' ' ' ASN . 91.6 p -86.5 -62.94 1.4 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.872 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -41.48 -24.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 86.9 m-20 -92.66 159.19 15.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.452 ' C ' HD23 ' A' ' 59' ' ' LEU . 10.9 mm-40 -151.3 170.33 19.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.957 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 38' ' ' GLN . 96.5 m -34.16 116.89 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.55 -37.23 2.47 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.518 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.19 117.5 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.772 ' HB3' HG22 ' A' ' 58' ' ' VAL . 20.4 p90 -121.81 157.98 29.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.806 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.678 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.1 pp -163.67 131.81 3.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.4 mp -98.97 142.1 15.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.539 HH21 ' N ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -136.42 153.54 51.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -74.52 115.75 14.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.0 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.788 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -142.0 157.21 45.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -132.7 135.7 45.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.423 HD22 HD22 ' A' ' 79' ' ' LEU . 8.6 tp -102.17 125.11 48.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.2 m -116.32 112.86 22.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.791 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.772 HG22 ' HB3' ' A' ' 42' ' ' PHE . 13.0 t -118.35 137.38 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.452 HD23 ' C ' ' A' ' 38' ' ' GLN . 11.2 tp -84.72 132.88 34.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.972 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.7 t70 -135.0 83.93 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 69.92 42.91 0.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.501 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 88.91 -12.63 65.3 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.541 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.972 HG12 ' O ' ' A' ' 60' ' ' ASP . 5.5 p -92.04 153.63 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.888 0.375 . . . . 0.0 111.104 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.58 HG13 HD12 ' A' ' 32' ' ' LEU . 61.5 t -115.93 108.36 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.138 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.618 ' HE3' HG11 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -89.99 107.19 18.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -85.8 110.17 19.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 79.7 m-85 -107.31 116.18 31.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -68.37 124.16 22.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 64.2 mt -94.48 101.67 12.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 69.4 mtt-85 -84.87 140.85 30.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.561 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 9.6 mtp-105 -107.19 151.24 25.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.961 179.969 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.561 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 23.2 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.875 0.369 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -150.78 140.24 21.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.673 ' CD2' HD21 ' A' ' 102' ' ' LEU . 12.2 tp -93.97 -13.87 26.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.5 t -152.04 150.91 30.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 81' ' ' ARG . 4.3 mmm180 -74.79 47.0 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -134.99 -30.84 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.524 ' HE3' ' CZ ' ' A' ' 94' ' ' TYR . 1.0 OUTLIER -143.78 138.59 28.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 82.3 t -125.36 140.73 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -110.76 -176.04 2.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.0 m -105.31 -44.71 4.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.805 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 89' ' ' ASN . 56.7 p -141.84 151.42 42.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.585 HD12 HD11 ' A' ' 13' ' ' LEU . 87.2 mt -39.7 -25.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 87' ' ' THR . 1.9 t-20 -61.34 -69.58 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -56.65 -23.41 41.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 2.5 t80 -61.55 -39.36 90.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.7 t -91.56 -44.7 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -51.27 -24.91 4.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.524 ' CZ ' ' HE3' ' A' ' 83' ' ' LYS . 74.4 t80 -89.96 -64.69 1.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -47.32 -39.97 16.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.2 p -52.7 -32.1 40.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 52.5 p -83.64 -24.99 31.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.157 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.2 t -158.43 138.44 12.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.485 ' N ' ' HG3' ' A' ' 105' ' ' LYS . 14.1 p -67.65 -43.45 80.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.4 t70 60.15 42.61 15.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 108.34 -43.01 1.79 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.425 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.673 HD21 ' CD2' ' A' ' 79' ' ' LEU . 2.6 mt -40.82 131.94 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.745 0.307 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 102' ' ' LEU . 52.0 t -35.32 -39.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.689 HG13 HG11 ' A' ' 58' ' ' VAL . 2.1 p -149.15 156.0 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.485 ' HG3' ' N ' ' A' ' 99' ' ' SER . 2.6 ttmm -81.5 148.83 29.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 21.6 mt -79.11 107.97 12.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.831 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -85.29 -61.14 1.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -145.99 152.62 48.11 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.59 0.709 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 145.55 57.26 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.706 2.27 . . . . 0.0 112.33 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.5 t -54.27 168.64 0.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.7 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.918 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.4 tt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.791 0.329 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -62.04 -25.95 67.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.954 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.97 -34.68 78.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.064 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -44.66 130.85 5.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.698 0.761 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -40.97 4.6 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 11.1 p-90 -74.06 -14.57 61.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.533 ' CD2' HD22 ' A' ' 13' ' ' LEU . 12.9 t80 -85.76 124.31 32.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.564 ' O ' HG23 ' A' ' 23' ' ' ILE . 3.5 m-85 -124.34 49.71 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 20' ' ' PHE . . . 38.12 -119.83 0.83 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.511 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.19 103.25 8.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.762 HD11 ' HB2' ' A' ' 28' ' ' ALA . 9.7 pt -126.41 177.28 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -102.22 149.01 24.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.6 ptt180 -44.39 -33.46 1.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.21 -44.97 90.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.91 -39.77 87.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.762 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -69.8 -47.27 63.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.405 ' HG2' HG21 ' A' ' 64' ' ' VAL . 22.4 mt-10 -51.54 -53.13 41.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -51.42 -42.71 61.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -64.14 -36.73 84.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.634 HD11 ' HB3' ' A' ' 57' ' ' SER . 60.2 mt -74.29 -59.76 2.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 19.4 mt -51.66 -18.25 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 33' ' ' LEU . 10.9 t80 -36.51 154.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 t -70.97 -63.15 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.422 ' HB2' ' CD1' ' A' ' 111' ' ' LEU . 62.7 mt-10 -43.86 -35.8 2.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -79.9 139.27 37.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.813 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 39' ' ' THR . 27.5 mt-30 -130.86 171.54 13.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 38' ' ' GLN . 37.5 m -35.29 116.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.62 -34.34 3.04 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.459 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.23 119.32 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.329 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.878 ' HB3' HG22 ' A' ' 58' ' ' VAL . 21.3 p90 -123.67 153.32 40.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.581 HD21 ' HB1' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -158.39 129.55 6.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -99.06 139.44 20.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.482 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 16.5 ptt-85 -141.73 152.21 43.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.84 156.08 37.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.5 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.799 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.836 0.35 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.429 ' C ' HD12 ' A' ' 69' ' ' ILE . 95.7 m-85 -155.07 148.17 24.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 t -125.85 132.07 52.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.7 tp -95.45 116.52 28.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.634 ' HB3' HD11 ' A' ' 32' ' ' LEU . 1.7 m -106.53 113.99 27.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.808 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.878 HG22 ' HB3' ' A' ' 42' ' ' PHE . 22.9 t -121.4 152.43 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.121 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.53 HD12 ' O ' ' A' ' 63' ' ' VAL . 15.7 tp -98.88 132.53 44.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.965 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.924 ' O ' HG12 ' A' ' 63' ' ' VAL . 2.3 t70 -135.03 84.34 2.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 68.07 50.43 0.8 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.499 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 82.34 -12.51 44.96 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.439 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.924 HG12 ' O ' ' A' ' 60' ' ' ASP . 3.3 p -91.62 161.68 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.948 0.404 . . . . 0.0 111.124 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.431 HG13 HD12 ' A' ' 32' ' ' LEU . 97.6 t -123.76 105.98 16.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.664 ' HE3' HG11 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -87.42 105.53 17.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.896 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -83.39 110.48 18.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.645 ' HB3' HD11 ' A' ' 79' ' ' LEU . 86.7 m-85 -106.85 113.3 26.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.1 mmm-85 -70.2 126.56 30.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.429 HD12 ' C ' ' A' ' 54' ' ' PHE . 5.8 mt -101.3 128.94 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.175 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.418 ' NE ' ' CZ ' ' A' ' 78' ' ' PHE . 2.9 ptm180 -114.78 165.29 12.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.596 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 34.6 mtp180 -125.55 147.24 49.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.729 HD11 ' CE1' ' A' ' 78' ' ' PHE . 1.2 mm? . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.596 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 9.9 m-85 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.884 0.373 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.73 ' CB ' HG22 ' A' ' 84' ' ' VAL . 5.5 p90 -151.87 129.32 11.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.645 HD11 ' HB3' ' A' ' 67' ' ' TYR . 12.7 tp -88.24 -23.87 23.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.951 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 82' ' ' ARG . 6.7 t -144.65 124.98 13.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.112 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -42.09 -23.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' THR . 60.6 mtt-85 -61.72 -44.08 97.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.547 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 51.5 tptt -130.27 150.13 51.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.73 HG22 ' CB ' ' A' ' 78' ' ' PHE . 78.3 t -141.14 144.99 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.113 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 7.8 m-85 -121.11 -176.74 3.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.0 m -102.58 -50.96 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 75.1 p -129.39 166.14 20.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.088 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 45.0 mt -53.14 -27.2 19.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -62.22 -67.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -58.45 -22.04 53.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.967 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.559 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 1.6 t80 -63.24 -40.73 98.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.694 HG11 ' CE2' ' A' ' 42' ' ' PHE . 99.3 t -92.55 -37.92 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -55.65 -18.11 7.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.547 ' CE2' ' HE2' ' A' ' 83' ' ' LYS . 29.3 t80 -91.94 -64.92 1.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.47 ' CD1' HD12 ' A' ' 102' ' ' LEU . 32.4 m-85 -51.49 -28.71 14.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.61 -21.58 10.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.5 p -88.1 -40.71 13.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.189 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.1 t -149.52 163.56 37.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.487 ' HB3' ' CA ' ' A' ' 105' ' ' LYS . 37.8 p -105.97 37.56 2.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -41.6 97.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.11 -44.29 2.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.47 HD12 ' CD1' ' A' ' 95' ' ' TYR . 2.5 mt -61.76 150.35 37.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.2 t -59.6 -38.62 81.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.539 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.2 p -139.23 160.72 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.539 ' N ' HG22 ' A' ' 104' ' ' VAL . 12.1 ttmt -91.32 127.83 36.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.418 ' CD2' HG21 ' A' ' 58' ' ' VAL . 29.7 mt -58.0 115.25 2.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -94.2 -68.2 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.559 ' C ' ' CE1' ' A' ' 42' ' ' PHE . 31.1 mttp -137.89 152.61 72.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.556 0.693 . . . . 0.0 110.843 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 141.24 44.42 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.654 2.236 . . . . 0.0 112.353 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 12.0 t -51.12 146.98 5.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.422 ' CD1' ' HB2' ' A' ' 36' ' ' GLU . 11.7 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.046 HD11 HD12 ' A' ' 88' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.729 0.299 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -53.02 -21.81 5.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.31 -28.84 62.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.065 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.48 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 78.0 mm-40 -60.03 134.27 90.17 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.675 0.75 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -40.88 4.9 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.388 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.48 ' CZ2' ' HG3' ' A' ' 16' ' ' GLU . 22.2 p-90 -68.51 -11.4 59.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.658 ' CG ' HD22 ' A' ' 13' ' ' LEU . 8.7 t80 -92.07 119.44 31.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.411 ' O ' HG23 ' A' ' 23' ' ' ILE . 3.6 m-85 -115.65 25.88 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.845 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.42 -117.74 12.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.425 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -121.47 98.48 5.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.633 HD11 ' HB2' ' A' ' 28' ' ' ALA . 18.2 pt -125.77 172.97 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -99.12 159.23 15.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.445 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 8.8 ptt85 -50.23 -36.12 29.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.445 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -63.53 -42.91 98.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -70.79 -37.94 73.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.633 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -70.9 -38.96 73.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.098 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 32' ' ' LEU . 55.3 mt-10 -63.53 -64.56 0.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -39.8 -29.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -76.19 -40.01 53.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 29' ' ' GLU . 67.7 mt -75.59 -43.56 47.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.433 HD21 ' CG2' ' A' ' 64' ' ' VAL . 4.3 mm? -62.35 -13.49 29.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 1.057 ' CD2' HD21 ' A' ' 111' ' ' LEU . 4.8 t80 -45.13 170.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.2 t -88.89 -59.98 2.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -42.87 -27.27 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.792 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.41 ' ND2' HD23 ' A' ' 111' ' ' LEU . 86.7 m-20 -87.58 151.84 22.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.464 ' O ' HD23 ' A' ' 59' ' ' LEU . 2.6 pp0? -133.23 -174.69 3.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.415 HG23 ' HA ' ' A' ' 60' ' ' ASP . 58.5 m -54.32 106.94 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.232 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.93 -28.71 2.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.541 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.443 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -45.11 115.12 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.861 0.362 . . . . 0.0 111.017 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.982 ' CE2' HG11 ' A' ' 92' ' ' VAL . 21.9 p90 -120.3 153.31 36.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.619 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.4 pp -163.95 127.82 2.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mp -99.15 144.48 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.113 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.6 ptt85 -139.11 160.59 39.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -87.09 119.93 27.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.5 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.774 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -134.8 149.29 50.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 65.6 m -123.83 126.32 46.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.821 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.472 ' HB2' HD11 ' A' ' 69' ' ' ILE . 12.0 tp -93.15 110.71 22.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 t -102.21 117.18 34.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.536 HG22 ' HB3' ' A' ' 42' ' ' PHE . 16.4 t -124.15 152.18 29.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.492 HD11 ' HA2' ' A' ' 62' ' ' GLY . 24.5 tp -99.24 132.65 44.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.972 ' O ' HG12 ' A' ' 63' ' ' VAL . 3.1 t70 -134.03 82.14 1.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 70.75 42.63 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.492 ' HA2' HD11 ' A' ' 59' ' ' LEU . . . 88.88 -10.64 71.81 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.452 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.972 HG12 ' O ' ' A' ' 60' ' ' ASP . 6.1 p -94.39 154.27 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.339 . . . . 0.0 111.109 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.473 HG21 ' HG2' ' A' ' 29' ' ' GLU . 45.0 t -114.28 110.96 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -91.95 107.08 18.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -84.26 110.21 18.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 65' ' ' LYS . 67.3 m-85 -108.2 116.01 31.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -69.84 117.17 11.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.472 HD11 ' HB2' ' A' ' 56' ' ' LEU . 44.5 mt -89.13 103.74 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.499 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 27.7 mtm-85 -79.73 146.38 32.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.575 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 12.0 mtp-105 -118.4 149.3 41.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.727 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 9.7 m-85 . . . . . 0 CA--C 1.527 0.084 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.727 ' CE1' HD11 ' A' ' 72' ' ' LEU . 7.5 p90 -163.03 129.06 3.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.445 ' CD2' HD21 ' A' ' 102' ' ' LEU . 11.1 tp -87.03 -15.62 38.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.537 HG23 ' H ' ' A' ' 83' ' ' LYS . 3.1 t -160.47 125.56 3.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 80' ' ' THR . 17.4 mmm180 -33.52 -48.6 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.483 ' HG2' HG23 ' A' ' 80' ' ' THR . 0.1 OUTLIER -51.68 -45.18 63.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.537 ' H ' HG23 ' A' ' 80' ' ' THR . 9.7 tptt -113.33 124.82 53.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.543 HG13 ' HB3' ' A' ' 78' ' ' PHE . 99.6 t -134.18 136.43 53.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.475 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 23.2 m-85 -118.99 -174.69 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 m -110.81 -50.16 2.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.2 p -124.75 154.73 40.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 1.046 HD12 HD11 ' A' ' 13' ' ' LEU . 86.9 mt -47.36 -26.76 1.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -63.6 -63.55 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.403 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 10.2 mt-10 -63.03 -10.06 12.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.9 t80 -78.44 -40.87 34.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.982 HG11 ' CE2' ' A' ' 42' ' ' PHE . 45.2 t -92.7 -35.72 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -59.72 -18.05 39.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.536 ' CE2' ' HE2' ' A' ' 83' ' ' LYS . 45.3 t80 -92.36 -56.13 3.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.984 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -62.15 -12.78 21.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 92' ' ' VAL . 2.3 p -76.45 0.14 20.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.442 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 6.8 p -111.51 -26.33 9.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.0 t -162.35 157.49 22.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.9 p -106.79 59.27 0.63 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -49.96 87.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.809 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 87.11 -43.88 3.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.445 HD21 ' CD2' ' A' ' 79' ' ' LEU . 1.9 mt -46.51 135.63 8.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.919 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 44.8 t -43.17 -41.03 3.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.507 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 1.6 p -145.47 159.49 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.507 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 20.3 ttpp -92.56 130.16 38.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.499 ' CD1' HG13 ' A' ' 92' ' ' VAL . 18.8 mt -56.58 120.35 7.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -101.14 -66.03 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt -137.27 152.69 73.91 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.547 0.689 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 149.03 66.18 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.701 2.267 . . . . 0.0 112.309 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.5 t -61.48 151.28 33.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 1.057 HD21 ' CD2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.816 HD11 HD12 ' A' ' 88' ' ' LEU . 2.0 tt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.74 0.305 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -52.5 -33.04 43.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.81 -32.75 72.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.053 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.423 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 27.6 mm-40 -53.92 131.69 58.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.649 0.738 . . . . 0.0 110.862 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -45.35 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.462 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 16.0 p-90 -64.9 -15.14 61.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.99 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.544 ' CG ' HD22 ' A' ' 13' ' ' LEU . 9.2 t80 -87.35 130.29 34.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.467 ' O ' HG23 ' A' ' 23' ' ' ILE . 7.8 m-85 -129.45 32.58 4.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.33 -120.32 15.44 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.569 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.88 103.55 9.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.707 0.289 . . . . 0.0 111.079 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.516 HD11 ' HB2' ' A' ' 28' ' ' ALA . 18.7 pt -129.43 174.42 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -100.92 163.4 12.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 11.3 ptt-85 -53.02 -34.48 56.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.437 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -62.98 -49.59 74.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.43 ' HA ' ' CD ' ' A' ' 30' ' ' LYS . 5.2 m-20 -66.31 -34.9 79.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.516 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -72.88 -40.21 65.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.693 ' HG2' HG21 ' A' ' 64' ' ' VAL . 28.5 mt-10 -65.35 -64.62 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.43 ' CD ' ' HA ' ' A' ' 27' ' ' ASP . 9.9 ptmm? -38.34 -33.64 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.428 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 23.8 mm-40 -73.28 -42.81 62.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.481 ' CD1' HG13 ' A' ' 64' ' ' VAL . 83.7 mt -71.1 -42.21 69.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.1 -20.47 65.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -40.67 146.61 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 t -63.09 -58.93 5.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.827 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -41.67 -41.02 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 79.3 m-20 -75.38 151.47 38.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -141.33 172.62 12.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.453 HG23 ' HA ' ' A' ' 60' ' ' ASP . 13.2 m -39.41 115.16 0.47 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.88 -36.47 2.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.37 130.06 4.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.862 0.363 . . . . 0.0 111.081 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.824 ' CE2' HG11 ' A' ' 92' ' ' VAL . 21.0 p90 -133.46 156.25 48.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.795 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.564 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.0 OUTLIER -162.84 129.51 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -100.46 148.43 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.1 ptt85 -143.82 169.89 16.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -90.78 130.6 36.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.1 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.784 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 t0 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.805 0.336 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -147.26 153.79 40.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 t -126.39 137.84 53.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.817 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.9 tp -105.9 122.6 46.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.972 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 t -114.0 115.63 27.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.698 HG22 ' HB3' ' A' ' 42' ' ' PHE . 19.9 t -121.16 149.93 24.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.174 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 63' ' ' VAL . 32.5 tp -96.95 133.18 41.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.876 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.7 t70 -135.02 74.82 1.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.816 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.416 ' HG3' ' C ' ' A' ' 60' ' ' ASP . 16.1 mt-10 75.06 54.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.39 -5.53 50.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.876 HG12 ' O ' ' A' ' 60' ' ' ASP . 6.6 p -97.34 156.82 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.371 . . . . 0.0 111.087 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.693 HG21 ' HG2' ' A' ' 29' ' ' GLU . 42.1 t -120.62 105.46 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.585 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -87.63 109.49 19.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -87.06 111.72 21.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.808 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.585 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 85.2 m-85 -106.6 134.93 48.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -87.38 121.48 29.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.829 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.5 mt -95.56 105.43 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -91.74 144.27 25.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.566 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 32.7 mtp180 -107.85 154.52 21.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.749 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 24.6 m-85 . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.819 0.342 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.749 ' CE1' HD11 ' A' ' 72' ' ' LEU . 5.6 p90 -153.24 129.18 10.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.0 tp -85.73 -24.45 26.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 81' ' ' ARG . 9.8 t -150.72 123.11 8.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 80' ' ' THR . 11.5 mmm180 -33.48 -45.32 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.411 ' HB3' ' NH1' ' A' ' 82' ' ' ARG . 4.6 mmm180 -37.77 -49.79 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 84' ' ' VAL . 41.6 tptt -129.32 149.04 51.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.513 HG22 ' CB ' ' A' ' 78' ' ' PHE . 67.9 t -136.53 146.31 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.557 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 21.8 m-85 -122.07 178.4 4.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 m -105.42 -50.43 3.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.4 p -126.95 155.62 42.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.157 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.816 HD12 HD11 ' A' ' 13' ' ' LEU . 88.0 mt -47.6 -25.35 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -63.71 -63.26 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -62.86 -18.57 63.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.557 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 1.5 t80 -67.49 -40.99 85.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.824 HG11 ' CE2' ' A' ' 42' ' ' PHE . 88.5 t -92.39 -34.89 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -59.76 -18.57 44.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -89.01 -64.61 1.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.445 ' CD1' HD12 ' A' ' 102' ' ' LEU . 36.9 m-85 -49.55 -34.83 18.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.932 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.62 HG23 ' O ' ' A' ' 92' ' ' VAL . 7.0 p -49.04 -18.38 0.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.164 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 20.1 p -94.4 -32.23 13.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.0 t -160.32 149.64 17.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.487 ' HB3' ' CA ' ' A' ' 105' ' ' LYS . 61.4 p -92.19 42.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.848 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 99' ' ' SER . 5.6 t70 -36.83 98.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.3 -46.7 3.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.445 HD12 ' CD1' ' A' ' 95' ' ' TYR . 2.4 mt -52.04 145.21 10.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.94 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 55.5 m -55.89 -37.51 68.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.544 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.2 p -142.81 160.69 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.544 ' N ' HG22 ' A' ' 104' ' ' VAL . 27.4 ttpp -90.79 135.12 33.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.09 112.45 3.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -87.75 -65.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -140.28 152.51 67.14 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.563 0.697 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 110' ' ' CYS . 53.8 Cg_endo -69.76 121.85 8.54 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 109' ' ' PRO . 35.3 t -34.73 150.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.9 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.618 HD22 ' CD2' ' A' ' 19' ' ' PHE . 1.8 tt . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.755 0.312 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -56.12 -26.13 48.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.72 -25.78 64.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.473 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 2.6 mm-40 -58.48 134.37 85.55 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.587 0.708 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -45.23 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.723 2.282 . . . . 0.0 112.291 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.519 ' CH2' ' HB3' ' A' ' 88' ' ' LEU . 25.7 p-90 -66.25 -16.6 64.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.618 ' CD2' HD22 ' A' ' 13' ' ' LEU . 6.9 t80 -88.3 121.26 30.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -117.82 24.64 10.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.53 -108.32 2.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.3 101.83 5.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.825 0.345 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.428 HD11 ' HB2' ' A' ' 28' ' ' ALA . 17.7 pt -131.6 163.15 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.26 157.69 18.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.47 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 9.3 ptt180 -50.38 -35.35 27.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.47 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -61.86 -44.07 97.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.2 -37.79 78.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.428 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -69.11 -40.68 78.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 32' ' ' LEU . 27.9 mt-10 -60.86 -64.84 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -39.77 -32.6 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -74.23 -38.86 63.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.725 ' CD1' HG13 ' A' ' 64' ' ' VAL . 95.7 mt -74.4 -44.86 50.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.26 -14.52 39.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.925 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.955 ' CD2' HD21 ' A' ' 111' ' ' LEU . 4.1 t80 -45.18 158.24 0.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 36' ' ' GLU . 30.9 t -74.18 -69.39 0.45 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.878 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 35' ' ' SER . 8.0 mm-40 -35.75 -38.88 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.493 ' CG ' HD23 ' A' ' 111' ' ' LEU . 94.1 m-20 -78.13 140.89 39.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -130.31 175.63 8.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.444 HG23 ' HA ' ' A' ' 60' ' ' ASP . 89.6 m -39.81 114.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.211 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.31 -36.4 2.14 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -40.9 118.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 111.151 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.828 ' HB3' HG22 ' A' ' 58' ' ' VAL . 46.3 p90 -130.38 141.03 50.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.932 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.426 ' O ' HD12 ' A' ' 43' ' ' LEU . 3.4 pp -151.61 131.97 13.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.4 mp -100.37 135.83 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.3 ptt85 -128.64 158.75 37.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -92.26 127.41 37.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.749 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.419 ' OD2' ' NH1' ' A' ' 71' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.869 0.366 . . . . 0.0 110.809 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.455 ' CE1' HD11 ' A' ' 88' ' ' LEU . 96.1 m-85 -132.97 162.24 32.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.8 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -141.62 122.04 14.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.834 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.9 tp -94.15 120.14 33.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.434 ' OG ' HD11 ' A' ' 32' ' ' LEU . 24.8 p -114.4 113.24 24.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.828 HG22 ' HB3' ' A' ' 42' ' ' PHE . 37.9 t -115.22 149.56 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.091 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.405 HD11 ' HA2' ' A' ' 62' ' ' GLY . 26.8 tp -95.75 132.32 41.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.913 ' O ' HG12 ' A' ' 63' ' ' VAL . 2.6 t70 -135.04 78.92 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 73.92 49.52 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.405 ' HA2' HD11 ' A' ' 59' ' ' LEU . . . 80.95 -6.35 62.85 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.441 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.913 HG12 ' O ' ' A' ' 60' ' ' ASP . 5.3 p -97.95 147.23 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 111.069 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.725 HG13 ' CD1' ' A' ' 32' ' ' LEU . 21.6 t -109.81 108.49 25.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.587 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -89.26 109.31 20.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -85.01 110.31 18.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.587 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 87.3 m-85 -106.67 113.44 26.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -67.86 130.21 42.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.3 mt -100.04 101.12 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.187 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 10.9 mtt85 -87.58 134.67 33.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.419 ' NH1' ' OD2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -104.48 149.07 25.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.707 HD11 ' CE2' ' A' ' 78' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.898 0.38 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.707 ' CE2' HD11 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -160.1 131.7 6.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.532 HD11 ' CB ' ' A' ' 67' ' ' TYR . 6.2 tp -89.12 -27.67 20.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.518 HG23 ' H ' ' A' ' 82' ' ' ARG . 10.9 t -143.84 160.69 40.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -80.06 37.91 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.518 ' H ' HG23 ' A' ' 80' ' ' THR . 2.0 mmp_? -126.11 -19.61 4.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.577 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 17.2 mmmt -154.09 143.65 21.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.5 t -133.98 138.82 49.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.567 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 47.2 m-85 -120.13 178.8 4.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.2 m -99.03 -54.14 3.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.9 p -124.79 158.95 32.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.106 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.566 ' HB2' HD11 ' A' ' 13' ' ' LEU . 52.8 mt -48.75 -23.79 1.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.403 ' OD1' ' ND2' ' A' ' 93' ' ' ASN . 2.2 t-20 -64.7 -65.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -59.62 -19.31 48.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.579 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 0.8 OUTLIER -69.99 -39.64 75.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 96' ' ' THR . 94.3 t -92.58 -36.92 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.197 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.403 ' ND2' ' OD1' ' A' ' 89' ' ' ASN . 95.3 m-20 -58.51 -13.42 5.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.577 ' CE2' ' HE2' ' A' ' 83' ' ' LYS . 42.2 t80 -96.26 -69.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.435 ' O ' ' N ' ' A' ' 97' ' ' THR . 15.5 m-85 -44.98 -44.35 9.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 92' ' ' VAL . 20.0 p -37.85 -30.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 95' ' ' TYR . 17.8 p -80.48 -47.21 14.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.5 t -143.27 149.45 37.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.456 ' HB3' ' CA ' ' A' ' 105' ' ' LYS . 6.3 p -98.43 33.6 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -40.6 101.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 99.87 -47.67 1.29 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.506 HD21 ' CD2' ' A' ' 79' ' ' LEU . 5.1 mt -63.8 151.72 41.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 11.4 t -62.87 -37.56 87.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.594 HG13 HG11 ' A' ' 58' ' ' VAL . 1.6 p -139.29 157.05 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.468 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 10.6 ttmt -88.65 141.49 28.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.555 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 19.6 mt -68.18 102.68 1.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -80.54 -64.62 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -141.72 149.13 52.45 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.611 0.719 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 110' ' ' CYS . 54.3 Cg_endo -69.79 130.85 20.02 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.725 2.283 . . . . 0.0 112.302 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 109' ' ' PRO . 6.2 t -37.65 147.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.955 HD21 ' CD2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.922 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.838 HD21 ' HB2' ' A' ' 88' ' ' LEU . 4.0 mt . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.771 0.32 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -52.33 -25.88 10.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.14 -27.81 42.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.078 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.436 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 6.9 mm-40 -62.87 128.05 91.47 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.64 0.734 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -43.3 2.8 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.636 2.224 . . . . 0.0 112.363 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.436 ' CZ2' ' HG3' ' A' ' 16' ' ' GLU . 20.3 p-90 -65.64 -13.72 59.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -85.86 119.55 26.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.64 ' O ' HG23 ' A' ' 23' ' ' ILE . 32.9 m-85 -119.42 50.08 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 20' ' ' PHE . . . 34.69 -122.91 0.49 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.464 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.91 101.99 8.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.721 0.296 . . . . 0.0 111.116 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.762 HD11 ' HB2' ' A' ' 28' ' ' ALA . 9.2 pt -127.75 177.36 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.7 mtmm -102.33 154.72 18.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 8.2 ptt180 -48.32 -34.92 11.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.461 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -64.01 -45.54 88.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -67.6 -36.2 80.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.762 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -73.86 -40.48 63.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.638 ' HG2' HG21 ' A' ' 64' ' ' VAL . 9.8 mt-10 -58.97 -66.06 0.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -40.31 -34.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -71.96 -37.69 69.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.613 HD12 HG13 ' A' ' 64' ' ' VAL . 17.0 mt -75.7 -46.34 31.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.529 HD11 ' O ' ' A' ' 62' ' ' GLY . 4.2 mm? -61.82 -14.08 29.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.869 ' CD2' HD21 ' A' ' 111' ' ' LEU . 4.4 t80 -41.02 156.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.4 t -72.04 -62.49 1.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.483 ' HB2' ' CD2' ' A' ' 111' ' ' LEU . 61.0 mt-10 -43.46 -33.11 1.01 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.846 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.478 ' OD1' HD23 ' A' ' 111' ' ' LEU . 77.1 m-20 -86.48 143.67 27.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -136.4 179.5 6.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.619 HG23 ' HA ' ' A' ' 60' ' ' ASP . 60.5 m -39.35 117.74 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.18 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.27 -35.11 3.04 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.446 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.27 118.89 2.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.907 0.384 . . . . 0.0 111.074 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.743 ' HB3' HG22 ' A' ' 58' ' ' VAL . 27.4 p90 -121.79 160.61 24.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.604 HD21 ' HB1' ' A' ' 28' ' ' ALA . 0.7 OUTLIER -166.29 130.95 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -101.29 140.44 20.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.414 ' NH2' ' ND1' ' A' ' 66' ' ' HIS . 14.1 ptt-85 -142.02 152.11 43.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.2 141.0 49.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.81 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.9 t70 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.792 0.33 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -150.91 146.36 26.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.3 m -123.73 132.61 53.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.503 ' HB2' HD11 ' A' ' 69' ' ' ILE . 9.1 tp -99.32 107.67 20.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.977 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -96.09 120.87 37.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.743 HG22 ' HB3' ' A' ' 42' ' ' PHE . 20.1 t -125.64 150.93 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.196 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.408 HD11 ' HA2' ' A' ' 62' ' ' GLY . 19.3 tp -101.45 133.58 45.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.957 ' O ' HG12 ' A' ' 63' ' ' VAL . 0.9 OUTLIER -135.05 79.76 1.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.767 179.873 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 72.92 36.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.529 ' O ' HD11 ' A' ' 33' ' ' LEU . . . 96.79 -12.68 65.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.492 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.957 HG12 ' O ' ' A' ' 60' ' ' ASP . 8.6 p -92.3 141.82 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 0.0 111.097 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.638 HG21 ' HG2' ' A' ' 29' ' ' GLU . 42.5 t -106.72 105.79 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.476 ' HE3' HG11 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -92.26 106.26 18.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.414 ' ND1' ' NH2' ' A' ' 45' ' ' ARG . 26.9 m-70 -83.66 115.73 22.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.787 ' HB3' HD11 ' A' ' 79' ' ' LEU . 98.2 m-85 -106.49 109.74 21.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.481 ' NE ' ' HE ' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -64.95 117.11 7.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.942 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.503 HD11 ' HB2' ' A' ' 56' ' ' LEU . 14.7 mt -92.53 123.58 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.481 ' HE ' ' NE ' ' A' ' 68' ' ' ARG . 20.4 mmt180 -100.45 165.11 11.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.445 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 6.8 mtm-85 -127.17 150.02 49.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.635 ' CD2' ' CD1' ' A' ' 78' ' ' PHE . 2.6 mm? . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.445 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 38.0 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.887 0.375 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.635 ' CD1' ' CD2' ' A' ' 72' ' ' LEU . 13.6 p90 -154.07 140.14 18.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.787 HD11 ' HB3' ' A' ' 67' ' ' TYR . 13.4 tp -95.57 -20.21 19.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.507 ' CG2' ' HG2' ' A' ' 82' ' ' ARG . 8.9 t -143.66 140.26 29.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -59.13 -9.47 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.507 ' HG2' ' CG2' ' A' ' 80' ' ' THR . 17.6 ptt180 -104.06 20.68 17.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.54 ' HE3' ' CZ ' ' A' ' 94' ' ' TYR . 1.0 OUTLIER -177.17 110.89 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.597 HG13 ' HB3' ' A' ' 78' ' ' PHE . 87.0 t -121.37 149.38 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.08 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -124.35 -175.39 3.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.0 m -102.13 -56.57 2.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 77.0 p -125.95 162.8 24.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.838 ' HB2' HD21 ' A' ' 13' ' ' LEU . 93.1 mt -51.65 -24.06 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.448 ' O ' ' CG ' ' A' ' 93' ' ' ASN . 3.6 t-20 -64.74 -65.2 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.406 ' HA ' ' ND2' ' A' ' 93' ' ' ASN . 26.2 mt-10 -60.45 -15.74 29.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.567 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.1 t80 -69.47 -38.79 77.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.665 HG11 ' CE2' ' A' ' 42' ' ' PHE . 88.6 t -92.7 -36.97 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 89' ' ' ASN . 3.3 m-20 -55.09 -26.2 36.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.54 ' CZ ' ' HE3' ' A' ' 83' ' ' LYS . 26.8 t80 -85.7 -63.42 1.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -53.69 -20.79 5.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 92' ' ' VAL . 1.4 p -65.46 -11.23 41.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.072 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.8 p -96.75 -30.91 12.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.2 t -161.79 161.46 29.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.185 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 101' ' ' GLY . 83.2 p -106.3 45.59 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -38.19 92.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.92 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 86.77 -35.23 3.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.45 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.58 HD21 ' CD2' ' A' ' 79' ' ' LEU . 6.4 mt -59.83 131.55 51.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.3 t -40.69 -43.31 1.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.558 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.6 p -141.73 161.13 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.558 ' N ' HG22 ' A' ' 104' ' ' VAL . 4.3 ttpm? -92.71 139.67 30.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.408 ' CD2' HG21 ' A' ' 58' ' ' VAL . 22.6 mt -68.41 115.49 7.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -93.53 -72.43 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -132.58 152.36 79.83 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.551 0.691 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 143.67 51.8 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.724 2.283 . . . . 0.0 112.358 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 37.9 t -54.45 128.91 33.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.869 HD21 ' CD2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.567 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.5 tt . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.756 0.313 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -58.8 -35.24 72.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.65 -28.84 68.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -53.22 130.8 51.5 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 -47.38 0.93 Allowed 'Trans proline' 0 N--CA 1.466 -0.126 0 C-N-CA 122.728 2.286 . . . . 0.0 112.355 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.496 ' CH2' ' HB3' ' A' ' 88' ' ' LEU . 21.6 p-90 -65.59 -10.5 35.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.548 ' CD2' HD22 ' A' ' 13' ' ' LEU . 6.3 t80 -91.95 123.96 35.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -121.85 24.9 9.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.75 -120.34 21.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.43 104.75 11.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.815 0.34 . . . . 0.0 111.154 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.579 HD11 ' HB2' ' A' ' 28' ' ' ALA . 20.2 pt -132.32 172.87 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 mtmm -101.49 155.33 18.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.442 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 11.5 ptt180 -48.37 -32.61 7.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.442 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -65.91 -42.66 89.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -71.37 -40.23 70.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.579 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -66.97 -39.79 87.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.835 ' HG2' HG21 ' A' ' 64' ' ' VAL . 17.4 mt-10 -60.29 -65.88 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -42.11 -27.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.806 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.415 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 14.3 mm-40 -81.81 -35.9 28.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' GLU . 25.3 mt -77.25 -47.26 20.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 32.2 mt -59.8 -19.53 51.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 1.036 ' CD2' HD21 ' A' ' 111' ' ' LEU . 5.8 t80 -35.48 145.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' GLU . 3.0 t -59.76 -68.37 0.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.912 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' SER . 73.7 mt-10 -36.2 -42.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 80.4 m-20 -68.53 152.29 45.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.535 ' C ' HD23 ' A' ' 59' ' ' LEU . 21.7 mm-40 -141.57 177.37 8.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.2 m -45.79 108.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.28 -29.33 2.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.2 117.01 1.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 111.11 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.742 ' CE2' HG11 ' A' ' 92' ' ' VAL . 15.1 p90 -121.18 155.78 33.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.494 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.2 pp -164.12 127.26 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.2 mp -99.6 143.67 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.5 ptt85 -138.2 166.8 23.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.482 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 17.1 mt-10 -84.92 136.64 33.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.823 -179.757 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.911 0.386 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.482 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 80.5 m-85 -144.85 164.16 31.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.7 t -137.54 130.21 29.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.518 ' HB2' HD11 ' A' ' 69' ' ' ILE . 14.5 tp -98.76 117.97 34.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.0 m -110.36 116.89 32.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.786 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.606 HG22 ' HB3' ' A' ' 42' ' ' PHE . 52.9 t -118.88 151.75 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 63' ' ' VAL . 28.8 tp -96.51 130.93 43.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.887 ' O ' HG12 ' A' ' 63' ' ' VAL . 0.6 OUTLIER -132.61 82.32 2.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.826 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 70.09 48.37 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.49 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 83.77 -10.4 59.99 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.448 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.887 HG12 ' O ' ' A' ' 60' ' ' ASP . 4.5 p -90.51 166.39 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.814 0.34 . . . . 0.0 111.129 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.835 HG21 ' HG2' ' A' ' 29' ' ' GLU . 36.1 t -124.86 103.79 12.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.539 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -87.52 105.52 17.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -84.58 113.52 21.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.697 ' HB3' HD11 ' A' ' 79' ' ' LEU . 86.6 m-85 -106.55 122.78 47.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.97 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.677 ' O ' HD12 ' A' ' 79' ' ' LEU . 3.7 mmm180 -72.85 129.24 37.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.518 HD11 ' HB2' ' A' ' 56' ' ' LEU . 45.2 mt -108.82 106.04 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.457 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 2.0 mpt_? -93.31 155.84 17.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.583 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 15.1 mtp-105 -116.98 150.5 38.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.472 HD11 ' CE1' ' A' ' 78' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.583 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 38.5 m-85 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.822 0.344 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.472 ' CE1' HD11 ' A' ' 72' ' ' LEU . 4.9 p90 -155.46 134.21 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.697 HD11 ' HB3' ' A' ' 67' ' ' TYR . 16.3 tp -95.53 -19.63 19.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.445 ' CG2' ' HB3' ' A' ' 83' ' ' LYS . 5.3 t -143.64 135.47 26.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.186 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -53.66 -23.73 12.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.422 ' NH2' ' HA3' ' A' ' 101' ' ' GLY . 5.7 ptt180 -86.58 14.07 7.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.561 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 33.9 tptt -161.95 156.67 22.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 83' ' ' LYS . 84.5 t -160.79 144.91 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.121 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.459 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 38.7 m-85 -127.44 176.85 7.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 66.4 m -98.46 -46.72 5.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 89' ' ' ASN . 68.2 p -139.73 153.63 47.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.496 ' HB3' ' CH2' ' A' ' 18' ' ' TRP . 84.3 mt -40.43 -25.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.98 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 87' ' ' THR . 1.8 t-20 -61.23 -69.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -57.67 -22.47 46.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.535 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.8 t80 -63.61 -40.54 97.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.742 HG11 ' CE2' ' A' ' 42' ' ' PHE . 90.8 t -92.36 -34.5 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.9 -14.85 56.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.561 ' CE2' ' HE2' ' A' ' 83' ' ' LYS . 47.6 t80 -89.78 -69.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.537 ' CD1' HD12 ' A' ' 102' ' ' LEU . 31.7 m-85 -47.05 -40.78 15.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 92' ' ' VAL . 4.6 p -40.0 -27.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 95' ' ' TYR . 7.5 p -83.36 -40.38 19.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 95' ' ' TYR . 10.0 t -154.26 159.41 41.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.6 p -101.43 34.95 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 99' ' ' SER . 72.9 m-20 -34.99 93.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 96.3 -45.18 1.93 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.55 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.537 HD12 ' CD1' ' A' ' 95' ' ' TYR . 4.6 mt -59.61 144.82 46.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.775 0.322 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.3 t -56.38 -37.48 70.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.502 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.2 p -142.75 158.16 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.502 ' N ' HG22 ' A' ' 104' ' ' VAL . 30.4 ttpt -90.55 142.37 27.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.3 mt -70.6 110.01 5.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -89.01 -64.74 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -137.26 152.43 73.43 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.626 0.727 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 152.76 69.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.722 2.281 . . . . 0.0 112.315 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 46.5 t -62.39 127.49 31.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 1.036 HD21 ' CD2' ' A' ' 34' ' ' TYR . 1.2 pp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.467 ' CD1' HD12 ' A' ' 88' ' ' LEU . 6.0 mt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.777 0.322 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -52.76 -18.81 2.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.95 -30.21 21.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.427 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 72.8 mm-40 -55.88 133.03 73.26 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.657 0.741 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.47 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 53.5 Cg_endo -69.78 -41.59 4.13 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.73 2.286 . . . . 0.0 112.317 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.452 ' CE3' HD13 ' A' ' 44' ' ' ILE . 12.1 p-90 -69.29 -18.92 63.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -86.75 119.57 27.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.685 ' O ' HG23 ' A' ' 23' ' ' ILE . 23.5 m-85 -121.4 37.55 4.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 44.45 -136.24 5.92 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.458 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.05 104.74 16.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.744 0.307 . . . . 0.0 111.07 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.685 HG23 ' O ' ' A' ' 20' ' ' PHE . 7.9 pt -131.37 166.01 29.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.76 161.97 14.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.498 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -53.81 -28.99 38.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.498 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -66.35 -45.02 81.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.077 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.46 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 5.2 t70 -70.64 -37.67 73.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.617 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -72.74 -44.71 61.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.167 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -61.4 -56.07 24.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -52.69 -37.85 59.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.499 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 14.3 mm-40 -68.26 -34.9 77.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.614 HD11 ' HB3' ' A' ' 57' ' ' SER . 35.1 mt -76.2 -54.77 6.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.475 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 23.5 mt -53.82 -19.68 4.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.473 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 9.7 t80 -35.85 146.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 37' ' ' ASN . 2.4 m -61.88 -66.0 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.893 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -39.78 -28.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 87.9 m-20 -88.67 156.07 19.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.68 ' C ' HD23 ' A' ' 59' ' ' LEU . 20.9 pt20 -151.95 176.69 11.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 38' ' ' GLN . 23.4 m -36.69 116.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.05 -33.58 3.65 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.497 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.13 112.26 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.874 0.368 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.772 ' HB3' HG22 ' A' ' 58' ' ' VAL . 29.1 p90 -117.43 161.35 19.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 pp -170.35 129.04 0.86 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.452 HD13 ' CE3' ' A' ' 18' ' ' TRP . 5.2 mp -99.33 139.4 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.483 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 15.9 ptt-85 -138.0 158.48 44.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -72.96 133.97 44.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.6 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.843 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.858 0.361 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -146.0 172.4 13.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.813 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.7 p -144.77 125.32 14.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.893 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.409 ' HB2' HD11 ' A' ' 69' ' ' ILE . 18.0 tp -93.21 117.54 30.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.614 ' HB3' HD11 ' A' ' 32' ' ' LEU . 1.6 m -109.71 113.83 26.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.772 HG22 ' HB3' ' A' ' 42' ' ' PHE . 15.3 t -116.3 154.05 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.162 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.68 HD23 ' C ' ' A' ' 38' ' ' GLN . 25.2 tp -99.88 132.75 45.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.954 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.0 OUTLIER -135.04 84.74 2.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.748 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 67.96 41.37 2.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.475 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 91.59 -14.45 63.96 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.532 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.954 HG12 ' O ' ' A' ' 60' ' ' ASP . 6.0 p -88.69 160.01 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 111.181 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.419 HG13 HD12 ' A' ' 32' ' ' LEU . 59.1 t -122.03 107.52 20.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -90.31 107.64 19.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.891 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -83.4 113.91 21.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.778 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 83.7 m-85 -110.83 114.69 28.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.5 mmm-85 -64.79 132.33 49.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.409 HD11 ' HB2' ' A' ' 56' ' ' LEU . 64.7 mt -105.18 96.21 4.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.21 154.95 28.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.575 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 35.3 mtp180 -121.07 142.78 49.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.483 HD11 ' CE1' ' A' ' 78' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 22.4 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.897 0.379 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.483 ' CE1' HD11 ' A' ' 72' ' ' LEU . 3.5 p90 -158.98 132.31 7.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.445 HD11 ' HB3' ' A' ' 67' ' ' TYR . 8.9 tp -90.44 -27.94 18.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.42 HG23 ' H ' ' A' ' 82' ' ' ARG . 14.0 t -144.71 153.0 41.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -64.51 -8.62 14.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.42 ' H ' HG23 ' A' ' 80' ' ' THR . 19.6 mmm180 -98.06 3.09 49.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.472 ' HD3' ' CZ ' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -154.96 141.02 18.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.955 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 74.0 t -149.72 142.73 17.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.563 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 25.4 m-85 -134.11 170.67 15.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.85 -41.57 7.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.4 p -128.37 158.67 37.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.467 HD12 ' CD1' ' A' ' 13' ' ' LEU . 65.3 mt -55.37 -32.46 62.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.951 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -60.35 -54.51 44.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -68.37 -13.75 62.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.57 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 0.9 OUTLIER -77.35 -37.7 51.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.656 HG11 ' CE2' ' A' ' 42' ' ' PHE . 92.3 t -92.72 -35.56 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -58.88 -22.34 59.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.442 ' CE1' ' HD2' ' A' ' 83' ' ' LYS . 6.8 t80 -88.61 -62.09 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -54.93 -15.47 2.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.989 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 92' ' ' VAL . 0.8 OUTLIER -69.99 -12.44 61.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.17 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.9 p -98.1 -31.45 12.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.117 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.2 t -159.29 152.09 21.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.487 ' HB3' ' N ' ' A' ' 105' ' ' LYS . 91.0 p -91.5 43.82 1.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 99' ' ' SER . 68.8 m-20 -34.58 94.89 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 84.5 -52.89 4.77 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.559 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.429 HD21 ' CD2' ' A' ' 79' ' ' LEU . 4.2 mt -41.48 149.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 40.7 t -60.35 -30.54 69.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.491 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 1.5 p -152.25 157.82 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.179 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.491 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 4.9 ttpm? -85.84 143.24 28.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.537 ' HB3' ' CD1' ' A' ' 42' ' ' PHE . 16.0 mt -73.78 106.33 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -80.43 -72.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.4 mtpt -134.17 151.62 76.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.491 0.662 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 142.74 48.42 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.639 2.226 . . . . 0.0 112.379 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 14.1 t -50.06 165.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.911 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.7 m -111.22 158.43 18.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.91 0.386 . . . . 0.0 110.899 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -112.39 -51.6 2.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.24 88.62 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.516 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -113.97 125.6 54.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.363 . . . . 0.0 110.859 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.9 m -148.47 143.5 26.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.16 91.76 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.452 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.57 162.24 32.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.77 0.319 . . . . 0.0 111.041 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -43.19 -60.36 1.7 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -92.54 96.68 10.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.825 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -49.37 -31.38 9.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.4 p -53.19 -38.86 63.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.535 HD21 ' HB2' ' A' ' 88' ' ' LEU . 5.4 mt -48.44 -28.42 3.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -50.14 -30.89 12.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.13 -32.81 59.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.456 ' HG3' HD23 ' A' ' 13' ' ' LEU . 5.2 mm-40 -53.15 131.55 51.03 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.637 0.732 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.493 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 53.7 Cg_endo -69.69 -47.12 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.388 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.461 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 22.0 p-90 -65.76 -12.56 54.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.955 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -90.2 128.73 36.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.493 ' CE1' ' O ' ' A' ' 17' ' ' PRO . 3.1 m-85 -131.22 56.37 1.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 20' ' ' PHE . . . 33.99 -123.25 0.41 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.507 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.6 106.94 12.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 111.07 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.523 HD11 ' HB2' ' A' ' 28' ' ' ALA . 20.9 pt -129.92 175.16 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -102.22 157.87 16.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.482 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 2.4 ptm180 -47.06 -34.56 5.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.482 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -62.79 -52.81 61.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -61.63 -43.23 99.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.523 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -65.04 -43.41 92.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.541 ' HG2' HG21 ' A' ' 64' ' ' VAL . 9.9 mt-10 -57.95 -65.79 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -38.21 -33.88 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -73.27 -41.74 63.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.659 ' CD1' HG13 ' A' ' 64' ' ' VAL . 95.2 mt -73.41 -50.52 21.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.67 -16.7 6.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -44.21 166.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 36' ' ' GLU . 34.7 t -81.96 -67.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.828 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' SER . 39.1 mt-10 -34.69 -38.81 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -80.67 140.5 35.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -130.55 176.61 8.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.514 HG23 ' HA ' ' A' ' 60' ' ' ASP . 88.8 m -39.6 113.46 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.13 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.99 -35.2 2.58 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.86 119.62 2.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.87 0.367 . . . . 0.0 111.083 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.878 ' HB3' HG22 ' A' ' 58' ' ' VAL . 22.8 p90 -124.35 158.64 32.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.541 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.2 pp -163.13 126.71 2.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.401 HD13 ' CE3' ' A' ' 18' ' ' TRP . 4.7 mp -99.29 137.77 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.414 ' CD ' HG13 ' A' ' 23' ' ' ILE . 42.1 ptt85 -131.71 166.64 21.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.476 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 14.0 mt-10 -90.81 116.09 28.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' GLU . 38.5 t -36.32 139.42 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -86.41 -46.58 10.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.8 t -60.71 -47.48 86.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.814 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 -119.69 147.96 43.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -89.05 147.68 24.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.593 ' O ' ' CE1' ' A' ' 54' ' ' PHE . . . 93.9 -48.88 2.25 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.415 ' HA ' ' NH1' ' A' ' 71' ' ' ARG . 0.7 OUTLIER -59.43 153.12 19.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.823 0.344 . . . . 0.0 110.885 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.593 ' CE1' ' O ' ' A' ' 52' ' ' GLY . 90.1 m-85 -130.1 163.21 27.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.9 p -137.1 124.49 21.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.8 tp -93.14 104.12 16.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.7 m -96.27 109.78 22.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.878 HG22 ' HB3' ' A' ' 42' ' ' PHE . 39.5 t -112.93 147.77 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.514 HD11 ' HA2' ' A' ' 62' ' ' GLY . 19.3 tp -98.52 131.55 44.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.943 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.0 OUTLIER -135.07 81.07 1.87 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.789 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 74.3 40.64 0.41 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.514 ' HA2' HD11 ' A' ' 59' ' ' LEU . . . 89.13 -7.75 81.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.457 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.943 HG12 ' O ' ' A' ' 60' ' ' ASP . 9.8 p -96.25 141.37 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 111.168 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.659 HG13 ' CD1' ' A' ' 32' ' ' LEU . 29.8 t -106.15 109.57 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.534 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -91.03 109.95 21.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -84.03 111.11 18.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.852 ' HB3' HD11 ' A' ' 79' ' ' LEU . 94.5 m-85 -106.6 109.6 21.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.909 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -64.59 113.18 3.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.4 mt -87.46 101.17 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -83.43 159.74 21.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.581 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 6.5 mtm-85 -127.46 151.83 48.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.724 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -103.64 -175.86 2.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -104.48 -16.87 14.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.51 -29.26 7.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -98.54 -116.33 3.65 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.458 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -157.22 -93.83 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.531 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.581 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 31.0 m-85 -121.95 147.57 45.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.91 0.386 . . . . 0.0 110.812 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.724 ' CE1' HD11 ' A' ' 72' ' ' LEU . 7.6 p90 -159.05 129.53 5.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.852 HD11 ' HB3' ' A' ' 67' ' ' TYR . 12.4 tp -87.54 -21.8 25.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 80' ' ' THR . 8.7 t -147.37 118.74 7.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 80' ' ' THR . 2.7 tpt85 -34.4 -39.46 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -45.42 -50.67 12.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.848 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.564 ' HE3' ' CE1' ' A' ' 94' ' ' TYR . 2.1 tppt? -123.47 150.95 43.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.962 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.526 HG22 ' CB ' ' A' ' 78' ' ' PHE . 74.8 t -141.26 144.71 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.144 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.489 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 34.2 m-85 -119.08 -175.05 2.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.0 m -107.72 -51.06 2.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.5 p -128.78 155.15 45.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.214 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.535 ' HB2' HD21 ' A' ' 13' ' ' LEU . 90.0 mt -45.83 -25.43 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -63.65 -65.76 0.64 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -61.07 -15.34 31.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.565 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.1 t80 -70.63 -40.39 73.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.737 HG11 ' CE2' ' A' ' 42' ' ' PHE . 87.9 t -92.45 -33.76 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -58.32 -25.93 62.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.564 ' CE1' ' HE3' ' A' ' 83' ' ' LYS . 67.2 t80 -82.85 -70.92 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.564 ' CD1' HD12 ' A' ' 102' ' ' LEU . 17.3 m-85 -42.33 -47.88 4.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 92' ' ' VAL . 3.8 p -33.98 -34.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 95' ' ' TYR . 29.3 p -74.81 -49.64 19.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' TYR . 7.9 t -143.88 158.48 43.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 101' ' ' GLY . 10.3 p -101.6 44.9 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.83 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -42.1 95.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.916 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 91.99 -45.73 2.67 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.521 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.564 HD12 ' CD1' ' A' ' 95' ' ' TYR . 2.9 mt -53.75 147.76 11.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.774 0.321 . . . . 0.0 110.897 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 83.0 m -58.92 -36.64 75.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.537 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.4 p -142.82 160.14 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.537 ' N ' HG22 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -90.5 133.36 35.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.7 mt -61.87 111.76 2.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -88.22 -69.27 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -138.32 152.38 71.3 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.554 0.692 . . . . 0.0 110.989 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 142.34 47.44 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.708 2.272 . . . . 0.0 112.357 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 12.3 t -54.0 165.69 0.45 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.1 mt -85.78 170.12 12.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -121.79 95.04 4.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.4 mm -73.8 135.63 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -88.36 132.89 34.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 87.2 t -107.53 -43.89 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.078 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.6 t -149.34 106.91 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 115.22 162.0 13.4 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -174.73 0.96 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.722 2.281 . . . . 0.0 112.38 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.3 t -105.09 148.62 26.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.9 t -165.77 158.2 14.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.432 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 t -91.41 -51.56 5.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.941 0.401 . . . . 0.0 110.834 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.0 m -88.74 107.92 19.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.825 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.98 110.42 1.15 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.427 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.1 p -80.62 133.93 35.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 110.889 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.0 t -144.02 127.06 16.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.924 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.15 179.74 22.56 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.69 94.41 6.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.753 0.311 . . . . 0.0 111.112 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 41.68 39.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.44 61.14 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -79.56 -62.0 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.824 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.7 p -49.21 -24.68 1.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.8 tt -49.7 -25.91 3.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 4.7 pt20 -54.34 -30.35 51.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.458 ' N ' ' HG3' ' A' ' 14' ' ' GLN . . . -63.08 -33.89 76.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -52.35 132.71 43.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.662 0.744 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -46.14 1.3 Allowed 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.467 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 22.7 p-90 -63.69 -13.77 46.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.961 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.489 ' CD2' HD22 ' A' ' 13' ' ' LEU . 6.3 t80 -89.14 124.03 33.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.461 ' O ' HG23 ' A' ' 23' ' ' ILE . 19.2 m-85 -122.15 27.79 7.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.15 -117.37 10.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.537 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -120.67 100.53 7.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.858 0.361 . . . . 0.0 111.066 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.765 HD11 ' HB2' ' A' ' 28' ' ' ALA . 17.4 pt -127.78 169.31 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.34 153.33 17.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -47.08 -29.85 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.59 -42.47 82.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.19 -38.78 75.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.765 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -72.98 -46.0 54.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.093 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.608 ' HG2' HG11 ' A' ' 64' ' ' VAL . 17.0 mt-10 -58.59 -38.15 77.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -63.45 -41.79 98.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.42 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 12.2 mm-40 -69.9 -33.21 71.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.1 mt -74.34 -53.16 10.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 26.0 mt -59.81 -15.02 17.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.56 ' CE1' HD11 ' A' ' 113' ' ' ILE . 3.8 t80 -40.63 158.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.0 t -74.5 -65.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.822 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -38.86 -33.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 84.2 m-20 -81.95 145.98 30.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' THR . 17.8 mt-30 -133.42 170.77 14.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.555 HG23 ' HA ' ' A' ' 60' ' ' ASP . 84.1 m -36.45 116.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.15 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.17 -37.15 2.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -42.3 121.07 1.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.792 0.33 . . . . 0.0 111.089 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.742 ' CE2' HG11 ' A' ' 92' ' ' VAL . 17.3 p90 -126.51 158.89 34.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.674 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.3 pp -166.54 130.94 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.2 mp -101.36 140.11 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -135.97 154.01 51.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -76.03 134.45 40.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.0 t -68.64 104.46 1.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -56.62 -32.03 64.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.8 t -60.92 -55.4 33.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.891 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -130.43 113.07 13.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 52' ' ' GLY . 0.8 OUTLIER -56.88 147.04 24.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.452 ' N ' ' HD2' ' A' ' 51' ' ' LYS . . . 102.51 -37.03 3.89 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -78.53 174.82 10.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.84 0.353 . . . . 0.0 110.8 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -148.5 166.29 28.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.5 p -141.65 123.75 15.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.791 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.432 ' HB2' HD11 ' A' ' 69' ' ' ILE . 5.7 tp -93.79 110.13 21.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.968 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.9 m -101.79 117.36 34.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.729 HG22 ' HB3' ' A' ' 42' ' ' PHE . 21.2 t -119.04 157.84 20.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.164 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.5 ' N ' ' CG1' ' A' ' 58' ' ' VAL . 13.9 tp -106.49 132.61 52.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.958 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.7 t70 -134.95 86.53 2.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 69.08 33.75 3.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.499 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 97.6 -13.51 64.03 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.958 HG12 ' O ' ' A' ' 60' ' ' ASP . 9.8 p -90.48 151.16 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.371 . . . . 0.0 111.129 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.608 HG11 ' HG2' ' A' ' 29' ' ' GLU . 87.4 t -112.92 109.69 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -92.0 109.27 20.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -83.93 113.26 20.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.672 ' HB3' HD11 ' A' ' 79' ' ' LEU . 89.7 m-85 -106.57 114.3 28.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -65.08 120.54 12.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.432 HD11 ' HB2' ' A' ' 56' ' ' LEU . 61.8 mt -96.11 97.03 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.2 mtt-85 -84.36 151.99 24.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.574 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 35.7 mtp180 -117.85 144.99 44.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.736 HD11 ' CE2' ' A' ' 78' ' ' PHE . 0.6 OUTLIER -95.76 177.1 5.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -102.39 -6.31 23.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -121.5 -22.87 5.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.24 -119.18 4.3 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -149.12 -95.09 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.448 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.574 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 30.5 m-85 -122.24 146.62 47.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.363 . . . . 0.0 110.92 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.736 ' CE2' HD11 ' A' ' 72' ' ' LEU . 2.4 p90 -156.54 137.28 13.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.672 HD11 ' HB3' ' A' ' 67' ' ' TYR . 8.6 tp -97.47 -12.96 22.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.466 ' O ' ' C ' ' A' ' 81' ' ' ARG . 9.1 t -166.61 125.56 1.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.487 ' HD3' ' CE1' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -33.41 -45.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 81' ' ' ARG . 53.3 mtp85 -35.87 -49.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.83 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.493 ' HE2' ' CD2' ' A' ' 94' ' ' TYR . 47.1 tptt -133.53 148.74 51.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.491 HG22 ' CB ' ' A' ' 78' ' ' PHE . 57.9 t -138.7 141.69 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.574 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 8.6 m-85 -120.43 176.25 5.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.1 m -104.55 -47.31 4.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.812 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 69.4 p -127.45 149.8 49.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.467 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 84.4 mt -43.06 -24.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -64.1 -63.44 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -62.78 -12.37 23.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.574 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 1.8 t80 -74.19 -40.28 62.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.742 HG11 ' CE2' ' A' ' 42' ' ' PHE . 96.0 t -92.65 -39.81 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.099 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -57.56 -12.85 3.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.493 ' CD2' ' HE2' ' A' ' 83' ' ' LYS . 53.1 t80 -95.02 -66.91 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.499 ' CE1' HD12 ' A' ' 102' ' ' LEU . 26.2 m-85 -51.24 -18.29 0.9 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.958 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.51 -8.12 17.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.204 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.418 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 11.1 p -105.56 -27.77 11.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.6 t -164.35 152.76 12.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 51.3 p -98.4 44.52 1.03 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -40.11 99.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.12 -39.28 3.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.523 HD23 ' CE1' ' A' ' 67' ' ' TYR . 2.7 mt -61.9 145.47 52.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.807 0.337 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 36.8 t -56.65 -38.27 71.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.552 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.3 p -141.66 160.78 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.552 ' N ' HG22 ' A' ' 104' ' ' VAL . 25.9 ttpt -93.72 129.84 39.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.453 ' CD2' HG21 ' A' ' 58' ' ' VAL . 24.5 mt -56.59 107.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -82.33 -71.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -135.86 152.81 76.51 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.563 0.697 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 135.88 31.45 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.692 2.261 . . . . 0.0 112.355 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.4 t -47.91 144.02 3.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.44 176.68 0.6 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -128.71 98.72 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.943 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.56 HD11 ' CE1' ' A' ' 34' ' ' TYR . 91.6 mt -78.54 143.96 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -134.28 150.59 51.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.6 m -111.89 -27.64 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 89.1 p -128.84 94.48 3.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 40.1 -154.04 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.5 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 100.88 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.717 2.278 . . . . 0.0 112.412 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.3 m -53.11 155.73 2.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.1 t 44.75 42.6 6.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.568 -179.96 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.42 -0.272 . . . . 0.0 112.42 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.3 p -96.92 -51.72 4.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 110.894 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 t -132.81 168.84 17.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.43 48.69 0.59 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.5 m -121.73 173.88 7.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 110.85 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -149.32 120.68 7.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.59 -137.31 0.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.17 92.28 2.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.718 0.294 . . . . 0.0 111.089 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 42.6 41.2 2.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.464 ' OD2' HD12 ' A' ' 13' ' ' LEU . 5.6 m-20 -117.43 120.47 38.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 mtm180 -122.54 -54.76 1.86 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.7 p -55.62 -25.21 37.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.839 HD11 HD12 ' A' ' 88' ' ' LEU . 2.0 tt -48.15 -25.83 1.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 16.5 pt20 -54.58 -34.59 62.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.429 ' N ' ' HG3' ' A' ' 14' ' ' GLN . . . -60.98 -31.89 71.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.064 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -50.5 131.04 26.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.667 0.746 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -42.68 3.15 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.496 ' CH2' ' HB3' ' A' ' 88' ' ' LEU . 17.2 p-90 -69.85 -10.17 57.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.509 ' CD2' HD22 ' A' ' 13' ' ' LEU . 8.4 t80 -92.66 115.24 27.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.407 ' O ' HG23 ' A' ' 23' ' ' ILE . 14.0 m-85 -111.01 28.38 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.73 -118.32 13.53 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.94 102.51 8.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.732 0.301 . . . . 0.0 111.013 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.498 HD11 ' HB2' ' A' ' 28' ' ' ALA . 20.2 pt -130.22 170.21 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.083 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -96.7 163.95 12.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -54.64 -34.18 61.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.02 -44.36 96.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -71.08 -38.68 72.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.498 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -68.84 -37.94 79.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.69 ' HG2' HG21 ' A' ' 64' ' ' VAL . 23.3 mt-10 -68.09 -60.76 2.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 31' ' ' GLN . 10.7 ptpt -45.16 -32.63 1.91 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.407 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 18.0 mm-40 -73.84 -39.1 64.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.528 ' CD1' HG13 ' A' ' 64' ' ' VAL . 89.3 mt -73.34 -49.94 24.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.595 HD11 ' O ' ' A' ' 62' ' ' GLY . 4.2 mm? -55.35 -23.32 23.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 1.002 ' CD2' HD21 ' A' ' 111' ' ' LEU . 5.7 t80 -36.07 151.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 37' ' ' ASN . 7.5 t -67.02 -64.34 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.86 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -39.74 -28.78 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 35' ' ' SER . 88.8 m-20 -90.31 141.79 28.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 39' ' ' THR . 28.6 mt-30 -136.22 173.74 11.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 38' ' ' GLN . 85.5 m -35.01 111.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.19 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.98 -33.3 2.73 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.51 121.06 3.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 111.113 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.739 ' HB3' HG22 ' A' ' 58' ' ' VAL . 25.8 p90 -127.8 151.7 48.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.668 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.3 pp -159.51 130.78 6.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 mp -102.66 140.25 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.5 ptt85 -134.19 169.5 17.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 47' ' ' SER . 14.9 mt-10 -93.8 119.57 32.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 46' ' ' GLU . 12.8 t -34.96 136.21 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -80.54 -55.76 4.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.8 t -53.89 -56.58 16.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 tp-100 -104.39 157.33 17.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -105.8 122.13 45.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.526 ' O ' ' CE1' ' A' ' 54' ' ' PHE . . . 123.24 -35.56 3.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.33 158.97 34.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.861 0.362 . . . . 0.0 110.847 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.526 ' CE1' ' O ' ' A' ' 52' ' ' GLY . 68.1 m-85 -133.53 147.7 51.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 t -126.09 129.18 48.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 tp -95.78 115.88 28.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.2 m -106.34 114.53 28.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.739 HG22 ' HB3' ' A' ' 42' ' ' PHE . 28.0 t -117.5 147.87 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.507 HD11 ' HA2' ' A' ' 62' ' ' GLY . 29.4 tp -96.8 131.19 43.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.953 ' O ' HG12 ' A' ' 63' ' ' VAL . 5.1 t70 -135.02 84.49 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 71.44 35.57 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.595 ' O ' HD11 ' A' ' 33' ' ' LEU . . . 94.84 -11.39 69.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.422 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.953 HG12 ' O ' ' A' ' 60' ' ' ASP . 9.1 p -92.99 149.01 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 111.114 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.69 HG21 ' HG2' ' A' ' 29' ' ' GLU . 22.7 t -111.62 108.99 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.587 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -90.85 110.3 21.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -84.71 110.72 18.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.587 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 91.1 m-85 -106.49 122.31 46.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.694 ' O ' HD12 ' A' ' 79' ' ' LEU . 1.0 OUTLIER -70.25 134.87 48.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.831 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 63.1 mt -107.95 93.8 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.058 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.575 ' O ' ' CD2' ' A' ' 78' ' ' PHE . 97.9 mtt180 -85.95 133.66 33.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.602 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 1.0 OUTLIER -108.09 150.37 27.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.52 HD11 ' CE2' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -99.5 179.85 4.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.985 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -105.28 -15.95 14.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -106.85 -21.14 13.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -115.78 -108.52 2.64 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -155.81 -107.62 0.27 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.467 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.602 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 41.4 m-85 -110.97 164.78 12.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.337 . . . . 0.0 110.903 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.575 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 2.9 p90 -173.25 129.27 0.46 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.966 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.694 HD12 ' O ' ' A' ' 68' ' ' ARG . 11.5 tp -89.19 -21.47 23.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 81' ' ' ARG . 7.9 t -152.37 126.15 8.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 80' ' ' THR . 16.2 mmm-85 -36.94 -38.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -45.16 -50.17 11.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.456 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 50.2 tptt -124.38 149.87 46.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.5 HG13 ' HB3' ' A' ' 78' ' ' PHE . 57.4 t -140.34 137.94 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.065 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.571 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 14.9 m-85 -116.45 -175.44 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.6 m -106.77 -45.71 4.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 67.5 p -134.8 165.59 24.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.839 HD12 HD11 ' A' ' 13' ' ' LEU . 96.4 mt -52.49 -25.88 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.975 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -63.57 -68.87 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -58.14 -16.89 15.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.571 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 1.6 t80 -68.68 -40.86 79.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.652 HG11 ' CE2' ' A' ' 42' ' ' PHE . 87.9 t -92.63 -41.53 12.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -54.01 -17.63 2.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.504 ' O ' HG23 ' A' ' 97' ' ' THR . 53.4 t80 -90.61 -66.97 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.406 ' CD1' HD12 ' A' ' 102' ' ' LEU . 28.3 m-85 -52.01 -24.85 7.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.922 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.92 -11.79 2.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 94' ' ' TYR . 2.0 p -101.1 -34.71 9.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.6 t -157.57 149.23 21.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.5 p -89.84 36.78 0.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 99' ' ' SER . 21.4 t70 -35.69 95.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 92.53 -40.18 2.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.463 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 99' ' ' SER . 2.7 mt -64.83 144.24 57.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.835 0.35 . . . . 0.0 110.859 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 2.3 t -54.33 -39.31 66.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.502 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.3 p -140.1 158.17 25.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.502 ' N ' HG22 ' A' ' 104' ' ' VAL . 19.9 ttpt -90.76 137.39 32.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.424 ' HB3' ' CD1' ' A' ' 42' ' ' PHE . 16.1 mt -65.77 116.84 7.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -94.19 -65.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -137.85 151.58 70.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.655 0.741 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 141.77 45.84 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.306 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 5.7 t -53.05 136.01 36.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 1.002 HD21 ' CD2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -67.4 148.53 51.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -98.31 131.49 44.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.479 HD11 ' CD1' ' A' ' 34' ' ' TYR . 74.3 mt -107.79 141.57 22.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.426 ' N ' ' CD ' ' A' ' 114' ' ' GLN . 1.2 mp0 -65.28 88.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 28.2 m -100.32 36.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.1 m -89.81 -45.38 9.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 153.93 145.09 4.07 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.501 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 172.73 12.16 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.649 2.233 . . . . 0.0 112.345 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.6 p -63.38 -51.18 66.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.9 p -116.09 175.48 5.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 -179.905 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.7 p -110.0 158.76 17.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.92 0.391 . . . . 0.0 110.815 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -122.51 142.47 50.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.65 -120.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -109.15 130.02 55.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 110.849 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 t -51.31 -51.74 51.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.74 158.26 7.79 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -118.47 -54.92 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.679 0.276 . . . . 0.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -53.49 27.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -116.98 130.61 56.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -119.07 -52.31 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.3 p -51.24 -28.33 11.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.997 HD11 HD12 ' A' ' 88' ' ' LEU . 1.8 tt -48.25 -27.81 2.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -52.3 -33.64 43.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.94 -33.57 73.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.415 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 58.8 mm-40 -55.84 131.77 72.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.693 0.759 . . . . 0.0 110.818 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -43.42 2.67 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.679 2.253 . . . . 0.0 112.333 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.501 ' CH2' ' HB3' ' A' ' 88' ' ' LEU . 22.8 p-90 -65.63 -6.9 12.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.617 ' CG ' HD22 ' A' ' 13' ' ' LEU . 8.6 t80 -97.5 124.66 41.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.505 ' O ' HG23 ' A' ' 23' ' ' ILE . 3.3 m-85 -125.94 32.04 5.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 56.56 -133.08 51.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.22 101.41 10.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 111.046 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.585 HD11 ' HB2' ' A' ' 28' ' ' ALA . 18.3 pt -127.56 170.74 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.115 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -99.54 176.24 5.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -64.93 -31.05 72.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.72 -43.13 80.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -72.66 -37.04 68.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.585 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -73.51 -45.09 55.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.437 ' HG2' HG21 ' A' ' 64' ' ' VAL . 9.4 mt-10 -60.79 -38.92 86.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -65.25 -30.73 71.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -79.74 -34.38 40.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.951 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.481 HD11 ' CB ' ' A' ' 57' ' ' SER . 91.7 mt -76.68 -51.59 11.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.5 mt -57.66 -17.78 16.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.97 ' CD2' HD21 ' A' ' 111' ' ' LEU . 6.4 t80 -39.77 144.48 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' GLU . 4.7 t -58.93 -67.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.853 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.439 ' HB2' ' CD2' ' A' ' 111' ' ' LEU . 36.1 mm-40 -35.8 -38.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -76.67 143.61 39.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -132.24 171.5 13.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.626 HG23 ' HA ' ' A' ' 60' ' ' ASP . 7.4 m -37.25 115.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.67 -35.46 2.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.526 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -40.65 118.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.783 0.325 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.797 ' HB3' HG22 ' A' ' 58' ' ' VAL . 45.1 p90 -126.3 146.78 49.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.566 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.8 pp -153.07 131.07 11.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.416 HG21 HD22 ' A' ' 88' ' ' LEU . 3.8 mp -103.43 139.64 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.7 ptt85 -132.01 172.99 11.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.446 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 18.1 mt-10 -96.47 121.05 37.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 p -43.07 157.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.32 162.68 13.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.6 m 47.2 32.22 2.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -173.29 147.36 1.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -118.33 124.93 48.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 126.25 -44.95 1.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.541 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -72.94 164.29 26.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.85 0.357 . . . . 0.0 110.849 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.446 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 78.5 m-85 -145.62 168.27 21.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 t -138.74 127.47 23.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.409 ' HB2' HD11 ' A' ' 69' ' ' ILE . 7.5 tp -98.26 114.83 27.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.823 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.481 ' CB ' HD11 ' A' ' 32' ' ' LEU . 15.6 m -107.91 117.23 33.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.78 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.797 HG22 ' HB3' ' A' ' 42' ' ' PHE . 25.4 t -119.71 144.56 27.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.627 HD11 ' HA2' ' A' ' 62' ' ' GLY . 41.2 tp -96.5 133.96 40.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.923 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.0 OUTLIER -135.1 79.88 1.81 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.789 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 73.51 31.54 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.627 ' HA2' HD11 ' A' ' 59' ' ' LEU . . . 101.44 -8.49 56.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.502 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.923 HG12 ' O ' ' A' ' 60' ' ' ASP . 11.5 p -98.24 131.47 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 111.185 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.437 HG21 ' HG2' ' A' ' 29' ' ' GLU . 62.0 t -99.55 109.34 24.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.496 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -92.09 114.35 26.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -88.64 113.1 23.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.681 ' CE1' HD23 ' A' ' 102' ' ' LEU . 83.0 m-85 -106.54 117.76 34.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.5 ttm-85 -67.7 125.41 26.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.81 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.415 HG12 HD13 ' A' ' 79' ' ' LEU . 61.0 mt -100.57 97.78 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.44 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 16.5 mtt85 -83.42 151.84 25.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.576 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 9.6 mtp-105 -116.59 153.3 32.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.734 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -104.42 -175.54 2.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.95 -15.93 14.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.37 -30.3 7.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -101.2 -117.55 4.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.472 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -154.78 -94.19 0.1 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.576 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 46.3 m-85 -118.18 143.64 46.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.862 0.363 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.734 ' CE1' HD11 ' A' ' 72' ' ' LEU . 7.3 p90 -153.41 132.73 12.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' A' ' 67' ' ' TYR . 11.7 tp -89.81 -18.72 25.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.0 t -155.54 131.27 9.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -44.45 -24.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -60.12 -44.09 95.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 84' ' ' VAL . 50.7 tptt -130.51 155.2 46.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.447 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 85.8 t -143.96 146.88 20.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.15 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.565 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 26.7 m-85 -125.08 177.42 6.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.3 m -104.54 -43.56 5.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 57.2 p -135.28 152.28 51.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.133 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.997 HD12 HD11 ' A' ' 13' ' ' LEU . 84.5 mt -43.16 -27.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.81 -64.26 1.01 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -61.66 -21.94 64.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.565 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 4.0 t80 -64.22 -40.06 95.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.696 HG11 ' CE2' ' A' ' 42' ' ' PHE . 85.0 t -92.59 -39.97 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.44 -12.2 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -93.72 -68.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.498 ' O ' ' N ' ' A' ' 98' ' ' THR . 30.3 m-85 -45.51 -42.01 10.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.899 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 95' ' ' TYR . 1.5 p -37.42 -33.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.147 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.2 p -79.37 -40.51 30.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.635 HG23 ' OD2' ' A' ' 100' ' ' ASP . 13.7 t -151.7 154.06 35.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.4 p -73.49 -27.79 61.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.635 ' OD2' HG23 ' A' ' 98' ' ' THR . 8.6 m-20 58.36 26.02 13.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.823 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 114.53 -20.25 15.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.453 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.681 HD23 ' CE1' ' A' ' 67' ' ' TYR . 2.5 mt -61.14 135.25 57.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.783 0.325 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 102' ' ' LEU . 86.7 m -33.39 -41.38 0.08 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.428 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 0.9 OUTLIER -144.65 152.69 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.428 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 27.7 ttpt -87.25 129.16 35.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.418 HD12 ' HB2' ' A' ' 95' ' ' TYR . 24.0 mt -54.92 117.1 3.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.401 ' C ' ' HG2' ' A' ' 108' ' ' LYS . 13.3 mm-40 -96.39 -55.44 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.403 ' C ' ' CE1' ' A' ' 42' ' ' PHE . 9.6 mmtp -149.76 152.74 35.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.583 0.706 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 154.02 68.41 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 15.2 t -65.14 164.83 12.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.97 HD21 ' CD2' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -104.74 157.07 17.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.482 ' N ' HD12 ' A' ' 111' ' ' LEU . 85.3 mttt -105.14 138.51 41.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 16.6 mm -71.19 137.66 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 115' ' ' VAL . 41.0 mt-30 -113.31 99.17 7.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 114' ' ' GLN . 0.9 OUTLIER -37.96 142.0 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.9 p -124.07 84.79 2.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.804 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 108.97 -175.21 19.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 119' ' ' SER . 53.5 Cg_endo -69.77 -23.65 30.52 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.37 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 118' ' ' PRO . 6.0 t -34.49 143.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.9 m -142.61 133.57 25.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 t -127.36 129.84 48.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.901 0.381 . . . . 0.0 110.851 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.6 m -59.21 -55.61 32.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.82 -148.79 19.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.456 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 6' ' ' SER . 1.9 t 44.12 42.51 4.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.825 0.345 . . . . 0.0 110.802 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 5' ' ' SER . 13.0 t 35.27 40.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.837 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.24 144.22 0.23 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.522 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.22 131.26 55.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 111.085 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -54.43 -61.32 2.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -77.38 133.11 38.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -128.18 -54.24 1.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -63.6 -13.89 46.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.578 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.7 tt -57.01 -24.44 53.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 4.9 pt20 -59.69 -30.9 69.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.43 ' N ' ' HG3' ' A' ' 14' ' ' GLN . . . -61.64 -32.02 72.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -51.41 130.77 34.17 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.68 0.752 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.428 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 53.0 Cg_endo -69.83 -44.08 2.24 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.485 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 21.5 p-90 -69.72 -11.42 60.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.481 ' CD2' HD22 ' A' ' 13' ' ' LEU . 13.3 t80 -89.79 111.19 22.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.703 ' O ' HG23 ' A' ' 23' ' ' ILE . 5.6 m-85 -114.04 41.66 2.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 37.8 -143.87 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.533 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.61 106.96 18.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.713 HD11 ' HB2' ' A' ' 28' ' ' ALA . 19.4 pt -134.26 171.71 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -100.52 153.79 19.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -46.36 -30.76 2.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.16 -44.97 86.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -70.88 -39.88 72.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.713 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -69.94 -41.43 74.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.566 ' HG2' HG21 ' A' ' 64' ' ' VAL . 20.6 mt-10 -60.81 -68.0 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 29' ' ' GLU . 14.5 mtpp -37.12 -37.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -68.98 -42.83 76.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.922 HD12 HG13 ' A' ' 64' ' ' VAL . 78.1 mt -71.43 -42.37 68.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.549 HD21 ' CG2' ' A' ' 64' ' ' VAL . 4.5 mm? -65.15 -20.31 66.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -38.59 154.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.9 m -69.77 -59.11 3.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.837 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -43.99 -37.04 2.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -81.8 146.29 29.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.472 ' C ' HD23 ' A' ' 59' ' ' LEU . 18.6 mt-30 -139.34 175.15 9.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.569 HG23 ' HA ' ' A' ' 60' ' ' ASP . 67.3 m -36.27 116.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.19 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.53 -36.82 2.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.406 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -45.1 117.02 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.83 ' CE2' HG11 ' A' ' 92' ' ' VAL . 35.3 p90 -121.31 159.34 26.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.529 HD21 ' HB1' ' A' ' 28' ' ' ALA . 0.8 OUTLIER -163.96 133.07 3.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.0 mp -104.34 139.4 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.076 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 57' ' ' SER . 2.9 ptt-85 -136.82 160.65 38.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.568 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 1.9 mp0 -81.91 142.91 32.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.3 t -79.65 88.18 5.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -37.81 -44.52 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.7 t -52.22 -58.6 6.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -128.01 99.19 5.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -46.95 172.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.97 -38.12 2.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.459 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -78.9 173.63 12.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.34 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 91.4 m-85 -153.29 147.85 26.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.447 ' O ' ' NH1' ' A' ' 45' ' ' ARG . 2.1 t -119.56 132.66 55.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.683 ' HB2' HD11 ' A' ' 69' ' ' ILE . 9.6 tp -97.66 110.71 23.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -101.21 113.33 26.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.681 HG22 ' HB3' ' A' ' 42' ' ' PHE . 15.2 t -118.67 149.57 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.582 HD11 ' HA2' ' A' ' 62' ' ' GLY . 7.2 tp -102.38 134.51 45.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.968 ' O ' HG12 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -133.37 84.78 2.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.872 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 71.58 28.7 2.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.582 ' HA2' HD11 ' A' ' 59' ' ' LEU . . . 100.93 -3.28 55.71 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.497 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.968 HG12 ' O ' ' A' ' 60' ' ' ASP . 10.4 p -99.63 125.54 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.91 0.386 . . . . 0.0 111.095 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.922 HG13 HD12 ' A' ' 32' ' ' LEU . 17.0 t -88.76 98.11 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.51 ' O ' ' CE1' ' A' ' 67' ' ' TYR . 6.5 mttm -94.39 105.53 17.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.425 ' CD2' ' H ' ' A' ' 66' ' ' HIS . 2.4 m-70 -83.82 135.68 34.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.848 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.51 ' CE1' ' O ' ' A' ' 65' ' ' LYS . 47.2 m-85 -126.32 113.95 17.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.57 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -61.58 139.7 58.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.683 HD11 ' HB2' ' A' ' 56' ' ' LEU . 56.2 mt -118.56 101.8 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -79.44 165.22 23.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -125.72 154.72 42.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.544 HD21 ' CD1' ' A' ' 78' ' ' PHE . 2.9 mm? -95.33 -175.37 3.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.67 -34.97 52.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -65.87 -32.28 73.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.53 31.48 1.97 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.491 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -113.62 141.19 16.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -90.61 139.35 30.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.637 ' HB3' HG13 ' A' ' 84' ' ' VAL . 6.4 p90 -152.05 128.87 10.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 68' ' ' ARG . 9.5 tp -85.46 -24.88 27.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.1 t -143.03 136.78 28.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.437 ' HD3' ' CE2' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -55.28 -13.01 1.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -70.19 -27.0 64.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -153.7 144.41 22.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.637 HG13 ' HB3' ' A' ' 78' ' ' PHE . 97.6 t -132.08 137.0 55.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.515 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 31.1 m-85 -108.71 -176.57 3.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.5 m -102.83 -52.84 2.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.0 p -132.13 160.67 35.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.485 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 83.5 mt -46.5 -25.84 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -61.58 -69.2 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.957 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -58.15 -21.96 49.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.515 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 2.9 t80 -63.82 -41.69 97.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.83 HG11 ' CE2' ' A' ' 42' ' ' PHE . 92.4 t -92.67 -37.52 8.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -22.24 56.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -87.62 -63.74 1.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -48.42 -36.99 15.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -48.96 -30.01 5.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.5 p -86.08 -23.51 26.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.171 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.425 ' N ' ' HD2' ' A' ' 105' ' ' LYS . 9.1 t -161.98 139.88 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.5 p -67.89 -33.02 73.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 39.0 t70 57.33 43.39 23.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.93 -33.24 6.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 103' ' ' CYS . 4.1 mt -48.75 133.0 17.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 102' ' ' LEU . 4.5 m -34.42 -42.26 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.495 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.3 p -143.31 158.13 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.082 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.495 ' N ' HG22 ' A' ' 104' ' ' VAL . 19.7 ttpp -91.35 125.99 36.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.442 ' CD2' HG21 ' A' ' 58' ' ' VAL . 24.5 mt -52.66 116.66 2.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -93.22 -71.04 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -135.84 152.82 76.56 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.561 0.696 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 140.84 43.81 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.649 2.232 . . . . 0.0 112.363 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.5 t -52.38 167.59 0.13 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.4 mt -98.42 170.7 8.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -116.53 130.96 57.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.477 HG22 HG13 ' A' ' 115' ' ' VAL . 71.5 mt -97.7 142.22 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -122.72 96.63 5.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.477 HG13 HG22 ' A' ' 113' ' ' ILE . 34.6 m -112.4 -15.46 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 50.6 m -114.03 136.17 53.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -86.44 154.11 26.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.85 -24.25 29.49 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.299 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 t -112.82 128.06 56.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.809 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.3 m -97.88 122.45 41.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.825 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.6 p -76.43 157.73 32.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.86 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.0 m -111.88 -46.03 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.6 -93.74 1.68 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.8 p -64.1 151.04 44.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 0.0 110.918 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.0 m -88.44 149.25 23.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.91 77.6 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.541 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -149.01 149.53 31.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.728 0.299 . . . . 0.0 111.115 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.3 mp0 -55.3 -47.03 76.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.68 87.82 7.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -111.9 -68.11 0.95 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.8 p -51.74 -35.67 44.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.427 HD21 ' HB2' ' A' ' 88' ' ' LEU . 3.4 mt -49.7 -28.15 5.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -51.61 -17.31 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.56 -28.34 23.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -62.22 131.28 93.54 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.628 0.728 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -46.17 1.33 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.8 p-90 -62.82 -16.65 59.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -85.91 110.67 19.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.617 ' O ' HG23 ' A' ' 23' ' ' ILE . 7.2 m-85 -110.04 40.91 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 47.42 -122.72 7.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.51 102.19 9.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.702 0.287 . . . . 0.0 111.094 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.617 HG23 ' O ' ' A' ' 20' ' ' PHE . 9.4 pt -128.72 163.05 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.152 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.3 168.14 14.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 4.2 ptm180 -58.59 -35.72 72.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.415 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -61.26 -43.72 98.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -70.5 -41.78 72.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.542 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -70.11 -33.68 72.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.617 ' HG2' HG11 ' A' ' 64' ' ' VAL . 20.9 mt-10 -70.37 -61.03 1.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -46.56 -40.03 12.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.822 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.487 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 16.1 mm-40 -66.44 -30.68 71.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.574 HD11 ' C ' ' A' ' 57' ' ' SER . 14.3 mt -80.52 -50.72 9.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.419 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 6.6 mt -59.8 -16.62 29.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.575 ' CD1' HD11 ' A' ' 113' ' ' ILE . 8.5 t80 -36.87 153.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.1 t -68.85 -66.77 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.829 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -40.58 -29.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.945 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 88.6 m-20 -85.63 148.63 25.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.651 ' C ' HD23 ' A' ' 59' ' ' LEU . 6.0 pt20 -138.14 -179.28 5.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.405 ' N ' ' HG3' ' A' ' 38' ' ' GLN . 97.6 m -46.61 113.18 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.02 -35.56 2.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.526 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 108' ' ' LYS . . . -47.33 115.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 0.0 111.105 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.799 ' CE2' HG11 ' A' ' 92' ' ' VAL . 39.5 p90 -119.72 158.38 26.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.503 ' C ' HD12 ' A' ' 43' ' ' LEU . 0.8 OUTLIER -163.94 132.37 3.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -104.05 148.23 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.064 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 57' ' ' SER . 6.7 ptt-85 -146.29 164.15 33.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.441 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 27.0 mt-10 -82.28 125.51 31.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.0 m -57.86 112.31 1.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -55.65 163.52 1.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.3 t 57.86 25.33 11.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -165.07 164.91 20.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.1 tptp -131.26 113.75 14.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.426 ' HA3' ' NH1' ' A' ' 71' ' ' ARG . . . 121.07 -44.23 1.4 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.53 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.7 156.68 34.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.352 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.441 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 83.2 m-85 -139.52 163.6 32.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.414 ' O ' ' NH1' ' A' ' 45' ' ' ARG . 67.0 m -135.66 132.85 37.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.892 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.8 tp -99.6 118.81 36.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.574 ' C ' HD11 ' A' ' 32' ' ' LEU . 1.1 t -110.28 115.41 29.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.663 HG22 ' HB3' ' A' ' 42' ' ' PHE . 24.1 t -121.71 153.11 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.148 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.651 HD23 ' C ' ' A' ' 38' ' ' GLN . 11.6 tp -100.23 129.53 46.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.951 ' O ' HG12 ' A' ' 63' ' ' VAL . 4.0 t70 -134.43 85.16 2.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 71.05 50.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.419 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 77.68 -6.49 46.46 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.472 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.951 HG12 ' O ' ' A' ' 60' ' ' ASP . 2.8 p -98.0 156.93 3.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.811 0.339 . . . . 0.0 111.182 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.617 HG11 ' HG2' ' A' ' 29' ' ' GLU . 87.2 t -116.06 108.21 24.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -87.62 105.45 17.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.89 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -83.52 110.44 18.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.621 ' HB3' HD11 ' A' ' 79' ' ' LEU . 81.3 m-85 -107.26 122.37 46.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.929 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -73.07 126.71 30.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 41.4 mt -98.75 103.73 15.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.35 147.42 24.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.58 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 35.2 mtp180 -114.15 152.49 31.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.746 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -101.15 -176.51 3.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.92 -18.68 14.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -107.82 -31.99 7.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -101.8 -120.58 4.71 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -148.17 -99.91 0.23 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.58 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 30.3 m-85 -112.21 151.11 29.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.746 ' CE1' HD11 ' A' ' 72' ' ' LEU . 4.2 p90 -161.07 130.33 4.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.621 HD11 ' HB3' ' A' ' 67' ' ' TYR . 13.9 tp -91.98 -14.42 29.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.509 HG23 ' HG2' ' A' ' 82' ' ' ARG . 1.9 t -153.99 118.46 4.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 80' ' ' THR . 18.1 mmm180 -33.74 -44.9 0.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.529 ' CG ' ' N ' ' A' ' 83' ' ' LYS . 0.4 OUTLIER -42.76 -49.98 5.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.591 ' HE3' ' CE1' ' A' ' 94' ' ' TYR . 3.1 tppt? -118.91 155.32 31.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.447 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 64.3 t -147.53 138.63 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.549 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 23.2 m-85 -115.88 -177.61 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.8 m -110.3 -44.48 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.2 p -131.76 154.59 48.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.427 ' HB2' HD21 ' A' ' 13' ' ' LEU . 90.9 mt -47.21 -25.61 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -63.32 -61.8 2.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -64.67 -15.13 60.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.551 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.6 t80 -71.21 -40.52 71.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.799 HG11 ' CE2' ' A' ' 42' ' ' PHE . 84.1 t -92.0 -36.21 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -60.46 -13.42 13.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.591 ' CE1' ' HE3' ' A' ' 83' ' ' LYS . 32.6 t80 -93.29 -63.17 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.434 ' CD1' HD12 ' A' ' 102' ' ' LEU . 51.1 m-85 -54.28 -27.57 36.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.54 -14.25 1.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.191 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.406 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 2.2 p -101.95 -29.79 11.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.204 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.2 t -156.87 152.55 26.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.493 ' HB3' ' CA ' ' A' ' 105' ' ' LYS . 88.1 p -102.91 31.79 4.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.826 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 99' ' ' SER . 16.2 m-20 -34.15 102.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.5 -44.77 3.07 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.434 HD12 ' CD1' ' A' ' 95' ' ' TYR . 3.0 mt -60.05 149.76 31.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.804 0.335 . . . . 0.0 110.899 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 35.8 t -62.25 -36.74 82.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.495 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.3 p -141.65 158.33 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.495 ' N ' HG22 ' A' ' 104' ' ' VAL . 23.9 ttpt -92.62 128.81 38.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 16.8 mt -57.86 110.66 0.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.007 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -93.94 -53.58 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.43 ' C ' ' CE1' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -144.11 154.8 58.32 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.582 0.706 . . . . 0.0 110.815 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 164.9 32.82 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.732 2.288 . . . . 0.0 112.323 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.475 ' CB ' ' HB3' ' A' ' 43' ' ' LEU . 42.2 t -78.01 150.21 33.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.7 mt -82.33 173.85 11.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.583 ' HG3' ' CE2' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -121.9 136.28 54.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.575 HD11 ' CD1' ' A' ' 34' ' ' TYR . 60.1 mt -101.39 150.49 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.7 104.74 2.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.965 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 116' ' ' SER . 28.9 m -103.02 -39.25 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.187 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 115' ' ' VAL . 65.9 p -34.63 -44.55 0.21 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.787 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 151.52 146.19 4.29 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 96.65 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.659 2.239 . . . . 0.0 112.36 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 26.4 p -117.11 106.34 13.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 68.5 m -84.7 128.52 34.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.428 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -117.83 169.39 9.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 110.841 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.7 m -141.95 167.83 21.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.17 139.67 6.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.505 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.0 m -161.19 146.95 14.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.353 . . . . 0.0 110.85 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -134.67 157.54 46.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.96 120.97 2.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -173.67 164.63 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.066 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -91.3 -57.12 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -77.19 151.25 35.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.5 mtm-85 -126.76 -61.4 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.8 p -52.84 -26.38 14.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.5 tt -51.28 -24.69 4.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -55.89 -26.61 48.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.92 -28.62 67.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -53.83 134.48 56.58 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.727 0.775 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HA ' ' NZ ' ' A' ' 112' ' ' LYS . 53.3 Cg_endo -69.81 -46.09 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.741 2.294 . . . . 0.0 112.292 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.439 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 21.3 p-90 -69.07 -14.91 63.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.956 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.448 ' CG ' HD22 ' A' ' 13' ' ' LEU . 14.3 t80 -87.53 115.12 24.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.434 ' O ' HG23 ' A' ' 23' ' ' ILE . 11.0 m-85 -113.68 29.65 7.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.09 -121.2 25.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.7 103.43 10.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.32 . . . . 0.0 111.186 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.506 HD11 ' HB2' ' A' ' 28' ' ' ALA . 17.5 pt -132.64 163.55 37.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -92.45 161.76 14.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -52.71 -34.46 52.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.99 -46.26 88.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.075 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -69.73 -40.75 76.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.506 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -65.04 -46.59 80.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.866 ' HG2' HG21 ' A' ' 64' ' ' VAL . 19.8 mt-10 -56.07 -59.79 4.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -38.94 -39.55 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -70.76 -37.14 73.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.507 HD12 HG13 ' A' ' 64' ' ' VAL . 59.7 mt -73.59 -51.32 17.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.435 HD11 ' O ' ' A' ' 62' ' ' GLY . 3.9 mm? -58.96 -18.5 34.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.796 ' CE1' HD12 ' A' ' 113' ' ' ILE . 3.7 t80 -36.27 152.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.4 t -72.94 -57.72 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -47.87 -31.48 5.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.436 ' OD1' HD23 ' A' ' 111' ' ' LEU . 88.4 m-20 -84.62 144.04 28.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -131.76 -179.44 5.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.2 m -44.54 114.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.78 -32.24 3.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.31 121.45 5.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.767 0.317 . . . . 0.0 111.052 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.811 ' HB3' HG22 ' A' ' 58' ' ' VAL . 35.9 p90 -127.18 161.34 28.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.595 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.5 pp -168.25 129.89 1.39 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.4 mp -100.01 149.07 6.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 ptt85 -142.73 160.98 39.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -79.55 125.43 29.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.4 t -54.73 102.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.795 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.2 pm0 -55.61 -25.7 40.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 74.3 m -70.67 -53.17 16.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.78 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -132.64 120.85 22.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 52' ' ' GLY . 11.4 tppt? -60.52 154.47 20.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.427 ' N ' ' HG3' ' A' ' 51' ' ' LYS . . . 95.66 -41.07 2.52 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.461 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -76.09 179.9 5.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.777 0.322 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -152.74 156.91 40.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.789 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 m -129.65 123.99 32.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.824 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.5 tp -93.2 121.88 35.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.457 ' C ' HD11 ' A' ' 32' ' ' LEU . 16.8 m -114.06 109.5 18.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.811 HG22 ' HB3' ' A' ' 42' ' ' PHE . 46.9 t -113.24 154.64 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.45 HD11 ' HA2' ' A' ' 62' ' ' GLY . 22.1 tp -103.09 131.87 49.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.956 ' O ' HG12 ' A' ' 63' ' ' VAL . 2.1 t70 -134.78 81.82 1.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 71.14 42.27 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.45 ' HA2' HD11 ' A' ' 59' ' ' LEU . . . 89.2 -10.3 73.6 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.447 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.956 HG12 ' O ' ' A' ' 60' ' ' ASP . 6.4 p -94.07 150.9 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 111.096 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.866 HG21 ' HG2' ' A' ' 29' ' ' GLU . 55.0 t -113.14 109.95 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.586 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -90.9 107.89 19.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -83.44 110.28 18.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.822 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.595 ' HB3' HD11 ' A' ' 79' ' ' LEU . 83.1 m-85 -107.72 116.37 31.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -69.94 130.88 43.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.2 mt -103.3 99.7 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.465 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 27.6 mtp180 -83.32 152.44 25.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.461 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 8.6 mtp-105 -116.99 151.04 37.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.682 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.9 OUTLIER -102.78 178.71 4.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.14 -2.33 24.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.779 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -124.79 -24.47 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.2 -105.33 2.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.547 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.11 -94.3 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.461 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 35.4 m-85 -118.06 141.65 48.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.979 0.418 . . . . 0.0 110.848 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.709 ' CB ' HG22 ' A' ' 84' ' ' VAL . 6.4 p90 -153.2 130.87 11.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.595 HD11 ' HB3' ' A' ' 67' ' ' TYR . 12.6 tp -87.44 -25.45 23.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.428 HG23 ' H ' ' A' ' 83' ' ' LYS . 5.5 t -145.77 129.4 17.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.7 tpt85 -46.0 -21.95 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -65.72 -39.75 91.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.596 ' HD2' ' CZ ' ' A' ' 85' ' ' PHE . 6.8 tmtm? -135.37 142.53 45.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.709 HG22 ' CB ' ' A' ' 78' ' ' PHE . 48.3 t -130.51 154.35 40.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.596 ' CZ ' ' HD2' ' A' ' 83' ' ' LYS . 39.2 m-85 -128.26 179.2 5.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.7 m -102.03 -50.23 3.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 89' ' ' ASN . 68.6 p -133.15 154.32 50.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.197 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.439 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 84.8 mt -42.72 -24.91 0.07 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 87' ' ' THR . 2.5 t-20 -62.59 -67.44 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.916 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -60.72 -14.58 21.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.53 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.9 t80 -71.41 -38.42 71.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.842 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.77 HG11 ' CE2' ' A' ' 42' ' ' PHE . 95.1 t -92.78 -37.59 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.124 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.67 -9.83 4.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.525 ' O ' HG23 ' A' ' 97' ' ' THR . 47.8 t80 -94.52 -69.19 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.596 ' CD1' HD12 ' A' ' 102' ' ' LEU . 44.1 m-85 -49.98 -27.13 4.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 92' ' ' VAL . 5.7 p -52.47 -18.51 1.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 94' ' ' TYR . 2.8 p -92.22 -40.16 11.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.7 t -153.12 161.02 42.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 101' ' ' GLY . 24.3 p -103.17 34.0 3.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 99' ' ' SER . 23.6 m-20 -37.12 93.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 97.1 -40.72 2.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.489 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.596 HD12 ' CD1' ' A' ' 95' ' ' TYR . 3.0 mt -66.15 146.21 54.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.347 . . . . 0.0 110.953 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 43.9 t -55.91 -38.84 70.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.507 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.3 p -141.09 158.79 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.507 ' N ' HG22 ' A' ' 104' ' ' VAL . 18.1 ttpt -91.89 130.52 37.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.2 mt -58.77 115.47 3.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -93.56 -62.72 1.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -143.53 152.51 56.83 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.597 0.713 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 142.91 49.2 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.701 2.267 . . . . 0.0 112.297 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.4 t -49.11 170.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.776 HD21 ' CD2' ' A' ' 34' ' ' TYR . 1.4 pp -117.19 153.68 32.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.421 ' NZ ' ' HA ' ' A' ' 17' ' ' PRO . 1.8 mptt -90.74 130.36 36.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.796 HD12 ' CE1' ' A' ' 34' ' ' TYR . 20.3 mm -59.5 157.41 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.056 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.505 ' N ' HG22 ' A' ' 113' ' ' ILE . 17.9 mt-30 -118.86 105.08 11.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 80.5 t -67.03 -57.15 11.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.186 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 80.7 p -94.51 153.9 17.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 59.82 142.07 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -50.77 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.612 2.208 . . . . 0.0 112.357 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.5 t -172.8 177.96 2.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.8 p -74.4 -55.52 5.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.779 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.45 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.9 m -65.16 114.35 4.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.792 0.33 . . . . 0.0 110.821 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -79.31 88.58 4.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.95 49.77 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.481 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 t -103.4 98.53 8.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.911 0.386 . . . . 0.0 110.833 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -156.25 172.14 18.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.52 96.91 1.63 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -168.84 143.73 3.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.76 0.314 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -50.28 -55.66 14.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.443 ' C ' ' OD1' ' A' ' 10' ' ' ASP . 0.9 OUTLIER -64.26 100.76 0.36 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -126.69 -62.77 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.0 p -60.94 -24.68 66.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.6 tt -49.31 -26.41 3.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -56.89 -33.18 66.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.74 -31.36 70.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -49.16 131.29 16.38 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.722 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -45.49 1.57 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.718 2.279 . . . . 0.0 112.256 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.429 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 18.9 p-90 -70.0 -10.08 57.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.967 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.517 ' CD2' HD22 ' A' ' 13' ' ' LEU . 12.7 t80 -92.31 115.55 28.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.601 ' O ' HG23 ' A' ' 23' ' ' ILE . 3.1 m-85 -115.11 40.96 2.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 46.05 -119.79 4.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.41 104.25 11.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 111.108 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.601 HG23 ' O ' ' A' ' 20' ' ' PHE . 18.9 pt -131.99 162.55 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.168 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -92.74 161.5 14.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.49 ' HB2' ' CE1' ' A' ' 66' ' ' HIS . 9.9 ptp180 -49.91 -34.4 20.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.49 -48.1 79.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 5.4 m-20 -65.13 -37.28 86.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.501 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -73.39 -38.86 65.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.513 ' HG2' HG21 ' A' ' 64' ' ' VAL . 11.9 mt-10 -62.93 -66.81 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -42.34 -32.76 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 15.7 mm-40 -73.49 -36.42 65.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.96 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.806 HD12 HG13 ' A' ' 64' ' ' VAL . 34.6 mt -76.73 -45.18 30.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.944 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.562 HD11 ' O ' ' A' ' 62' ' ' GLY . 4.0 mm? -63.59 -11.44 24.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -41.06 159.2 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.8 t -72.6 -59.46 2.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -49.78 -37.19 28.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -80.67 146.23 31.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.429 ' C ' HD23 ' A' ' 59' ' ' LEU . 1.3 pt20 -143.73 -177.54 5.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.4 m -38.95 115.39 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.75 -34.92 3.16 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.414 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.408 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -47.26 110.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 111.09 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.78 ' CE2' HG11 ' A' ' 92' ' ' VAL . 21.2 p90 -115.19 156.66 24.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.559 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.4 pp -166.78 131.1 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.406 HD13 ' CE3' ' A' ' 18' ' ' TRP . 3.7 mp -99.37 150.64 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 ptt85 -145.88 157.86 43.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.467 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 10.1 mt-10 -78.25 137.76 38.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.5 t -68.89 107.0 2.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -56.98 -40.5 76.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.9 t -59.51 -61.67 2.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -119.53 114.08 21.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.9 mtmm -59.03 156.26 12.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.3 -35.31 4.07 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.413 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -84.22 162.7 20.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.875 0.369 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.467 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 44.9 m-85 -138.69 164.5 29.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 t -134.69 130.28 36.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.7 tp -93.13 118.71 31.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.76 107.27 17.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.721 HG11 HG13 ' A' ' 104' ' ' VAL . 19.5 t -113.41 137.75 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.07 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.473 HD22 ' O ' ' A' ' 32' ' ' LEU . 25.0 tp -90.79 133.41 35.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.974 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.948 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.1 t70 -134.82 80.47 1.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 72.46 40.33 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.562 ' O ' HD11 ' A' ' 33' ' ' LEU . . . 92.3 -11.2 72.69 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.948 HG12 ' O ' ' A' ' 60' ' ' ASP . 9.7 p -92.5 140.39 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.842 0.353 . . . . 0.0 111.148 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.806 HG13 HD12 ' A' ' 32' ' ' LEU . 17.2 t -108.11 106.8 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.163 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.445 ' HE3' HG11 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -90.81 108.14 19.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.929 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.49 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 76.4 m-70 -83.74 111.63 19.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.644 ' HB3' HD11 ' A' ' 79' ' ' LEU . 70.8 m-85 -107.19 109.84 21.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.951 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.51 107.74 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.1 mt -74.03 98.52 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.432 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 11.0 mmm180 -73.4 154.09 40.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.582 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 12.8 mtp-105 -129.7 147.89 51.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.523 HD11 ' CE2' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -97.91 179.38 4.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -106.36 -2.49 22.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -126.32 -26.49 3.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.986 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.83 -116.99 4.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.541 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -146.61 -98.96 0.23 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.582 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 48.6 m-85 -117.88 156.76 27.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.523 ' CE2' HD11 ' A' ' 72' ' ' LEU . 2.5 p90 -161.99 129.28 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.644 HD11 ' HB3' ' A' ' 67' ' ' TYR . 11.2 tp -87.26 -21.75 25.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.8 t -147.65 149.9 33.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 20.4 mmm-85 -66.55 -4.8 9.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -99.0 12.45 35.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.456 ' HE2' ' CD2' ' A' ' 94' ' ' TYR . 16.7 tptt -167.54 155.46 9.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.454 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 97.2 t -158.1 143.98 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.415 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 26.0 m-85 -124.24 -174.95 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.9 m -108.28 -39.41 5.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 66.7 p -137.94 154.81 49.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.441 HD12 HD11 ' A' ' 13' ' ' LEU . 94.3 mt -48.91 -26.87 2.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -64.1 -62.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.501 ' HA ' ' ND2' ' A' ' 93' ' ' ASN . 10.0 mt-10 -62.13 -10.08 9.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.591 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 0.4 OUTLIER -80.57 -32.07 36.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.78 HG11 ' CE2' ' A' ' 42' ' ' PHE . 89.7 t -92.69 -33.9 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.501 ' ND2' ' HA ' ' A' ' 90' ' ' GLU . 22.7 p30 -66.39 -15.36 63.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.471 ' N ' ' OD1' ' A' ' 93' ' ' ASN . 13.3 t80 -87.74 -49.2 7.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -75.3 -4.05 36.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 92' ' ' VAL . 0.8 OUTLIER -76.12 -17.2 59.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 35.0 p -102.62 -21.15 14.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.5 t -164.98 149.95 9.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.162 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.0 p -87.54 -25.28 23.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.1 p30 43.74 48.72 6.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . 109.95 -48.14 0.97 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 103' ' ' CYS . 3.6 mt -37.66 133.2 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.752 0.311 . . . . 0.0 110.966 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.859 ' SG ' HG12 ' A' ' 104' ' ' VAL . 15.7 p -34.19 -39.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.859 HG12 ' SG ' ' A' ' 103' ' ' CYS . 2.4 p -150.89 159.91 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.534 ' N ' HG22 ' A' ' 104' ' ' VAL . 0.2 OUTLIER -90.15 128.83 36.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 21.5 mt -55.47 127.01 27.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -109.92 -67.51 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -136.86 151.12 71.74 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.54 0.686 . . . . 0.0 110.996 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 144.77 55.71 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.404 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 23.7 t -56.7 158.92 4.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.2 mt -86.27 163.57 17.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -117.66 97.25 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 58.6 mt -52.38 144.61 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.191 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -113.54 111.8 22.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -113.52 133.31 59.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.5 t -122.12 45.39 2.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 86.84 -154.41 26.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 119' ' ' SER . 54.6 Cg_endo -69.74 2.76 3.23 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.71 2.273 . . . . 0.0 112.361 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 118' ' ' PRO . 1.3 t -35.12 118.94 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.1 m -142.37 137.05 30.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.793 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.479 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p -130.7 129.78 43.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 110.855 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.1 m -46.41 -59.86 2.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.827 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.76 -163.39 31.73 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.455 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.4 p -83.51 177.43 8.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.882 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.3 p -168.21 121.46 0.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.9 95.82 0.71 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.53 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -172.05 135.72 0.82 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.785 0.326 . . . . 0.0 111.109 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -67.81 -24.07 65.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.52 123.02 47.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -121.44 -61.89 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.7 m -59.94 -17.91 41.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.7 tt -61.02 -23.95 65.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -58.62 -27.83 65.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.34 -28.12 65.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -49.1 133.82 15.59 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.636 0.732 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.402 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 54.1 Cg_endo -69.81 -42.25 3.52 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.7 2.267 . . . . 0.0 112.377 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.444 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 14.0 p-90 -73.05 -15.79 61.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.488 ' CD2' HD22 ' A' ' 13' ' ' LEU . 8.1 t80 -87.02 128.69 35.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.545 ' O ' HG23 ' A' ' 23' ' ' ILE . 11.5 m-85 -130.37 38.22 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 49.72 -123.76 14.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.4 103.62 10.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.78 0.324 . . . . 0.0 111.132 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.817 HD11 ' HB2' ' A' ' 28' ' ' ALA . 19.4 pt -127.32 173.34 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt -100.37 162.5 12.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.2 ptt-85 -53.05 -32.83 48.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.26 -46.66 69.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -67.92 -30.68 70.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.817 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -82.88 -36.25 25.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.599 ' HG2' HG21 ' A' ' 64' ' ' VAL . 27.7 mt-10 -69.04 -48.6 62.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 ptmm? -55.22 -43.61 74.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -65.95 -32.65 74.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.8 mt -74.47 -55.75 5.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 10.1 mt -54.07 -20.17 6.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.923 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' A' ' 33' ' ' LEU . 9.8 t80 -35.05 152.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 36' ' ' GLU . 2.4 m -65.46 -71.39 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 35' ' ' SER . 35.6 mm-40 -34.16 -38.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -78.56 142.7 37.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.465 ' C ' HD23 ' A' ' 59' ' ' LEU . 2.6 pm0 -136.16 177.64 7.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' GLN . 80.9 m -37.68 116.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.78 -36.76 2.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.11 113.53 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.846 ' CE2' HG11 ' A' ' 92' ' ' VAL . 18.0 p90 -120.4 156.08 32.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.42 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.3 pp -166.48 131.48 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 mp -100.63 143.64 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.18 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 ptt85 -139.42 157.38 45.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -83.15 140.01 32.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.444 ' HB3' ' CG ' ' A' ' 53' ' ' ASP . 0.9 OUTLIER -86.06 97.36 10.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.751 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 47' ' ' SER . 13.5 pt-20 -34.83 -36.03 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' SER . 38.5 m -40.24 -63.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.831 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.431 ' CG ' ' N ' ' A' ' 51' ' ' LYS . 30.7 tt0 -132.54 160.33 36.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.431 ' N ' ' CG ' ' A' ' 50' ' ' GLN . 10.1 tmtt? -84.43 134.98 34.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.593 ' O ' ' CE2' ' A' ' 54' ' ' PHE . . . 105.94 -36.54 4.33 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.454 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.444 ' CG ' ' HB3' ' A' ' 47' ' ' SER . 2.8 p30 -60.76 162.66 6.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.813 0.34 . . . . 0.0 110.906 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.593 ' CE2' ' O ' ' A' ' 52' ' ' GLY . 91.3 m-85 -152.18 153.98 34.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.1 m -133.43 125.8 29.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.801 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.442 HD23 HD21 ' A' ' 79' ' ' LEU . 10.4 tp -92.89 117.44 30.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.4 m -110.29 109.41 19.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.751 HG22 ' HB3' ' A' ' 42' ' ' PHE . 19.4 t -113.13 151.81 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.465 HD23 ' C ' ' A' ' 38' ' ' GLN . 25.2 tp -97.15 131.8 43.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.974 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.951 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.6 t70 -134.97 82.68 1.97 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.891 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 69.59 44.57 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.495 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 87.54 -11.19 66.78 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.485 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.951 HG12 ' O ' ' A' ' 60' ' ' ASP . 5.1 p -93.46 153.93 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 111.097 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.599 HG21 ' HG2' ' A' ' 29' ' ' GLU . 79.9 t -116.88 107.62 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.087 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -87.8 109.15 19.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -84.73 110.32 18.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 89.2 m-85 -106.43 114.84 29.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.1 tpp85 -67.62 120.51 14.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.471 HG12 HD13 ' A' ' 79' ' ' LEU . 58.8 mt -93.05 99.15 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.152 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 2.8 mmp_? -83.44 152.6 24.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.446 ' C ' HD13 ' A' ' 72' ' ' LEU . 6.8 mtp-105 -115.61 156.64 25.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.685 HD11 ' CD1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -105.41 -178.9 3.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -103.75 -6.16 21.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -125.32 -42.84 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.12 -108.8 0.5 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.523 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -163.91 -97.37 0.12 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.455 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.44 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 42.8 m-85 -115.2 143.01 45.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.685 ' CD1' HD11 ' A' ' 72' ' ' LEU . 7.4 p90 -151.98 131.7 13.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.471 HD13 HG12 ' A' ' 69' ' ' ILE . 12.1 tp -91.17 -15.27 29.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.476 HG23 ' H ' ' A' ' 83' ' ' LYS . 7.1 t -156.12 125.75 6.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -41.23 -27.48 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -59.14 -45.63 90.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.55 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 49.3 tptt -129.12 147.9 51.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.626 HG22 ' CB ' ' A' ' 78' ' ' PHE . 74.1 t -138.08 153.96 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.128 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.518 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 23.7 m-85 -131.42 -177.46 4.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 71.0 m -105.75 -52.16 2.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 52.9 p -123.6 160.55 26.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.192 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.444 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 59.6 mt -52.01 -26.97 11.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -62.72 -59.86 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.816 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.18 -15.32 62.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.3 t80 -71.79 -41.78 67.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.846 HG11 ' CE2' ' A' ' 42' ' ' PHE . 96.9 t -91.84 -35.47 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -59.95 -12.45 7.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.55 ' CE2' ' HE2' ' A' ' 83' ' ' LYS . 34.9 t80 -96.04 -58.5 2.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.943 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -61.82 -16.31 48.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 92' ' ' VAL . 3.2 p -66.56 -16.98 64.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.8 p -92.53 -33.75 14.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.159 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.9 t -155.75 170.54 21.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 79.1 p -111.8 49.25 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -49.61 96.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.11 -44.34 2.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.476 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.46 HD23 ' CZ ' ' A' ' 67' ' ' TYR . 3.0 mt -57.88 149.66 22.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.34 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 55.8 m -60.55 -37.49 81.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.525 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.3 p -141.01 159.64 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.525 ' N ' HG22 ' A' ' 104' ' ' VAL . 12.2 ttmt -90.25 131.08 36.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 21.6 mt -59.16 116.31 3.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -96.72 -68.65 0.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -137.01 151.22 71.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.549 0.69 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 144.8 55.64 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.723 2.282 . . . . 0.0 112.396 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 43.4 t -60.91 144.12 53.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.1 mt -63.22 151.38 40.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -102.99 88.3 3.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.534 ' H ' HD12 ' A' ' 113' ' ' ILE . 4.8 mp -83.56 146.76 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 115' ' ' VAL . 4.3 pt20 -106.61 48.66 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.627 ' O ' HG22 ' A' ' 115' ' ' VAL . 12.5 p 33.76 45.18 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 17.9 t -103.92 103.95 13.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 164.52 139.59 2.67 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 119' ' ' SER . 53.6 Cg_endo -69.78 1.95 3.99 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.678 2.252 . . . . 0.0 112.308 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 118' ' ' PRO . 2.7 m -36.09 126.45 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 41.2 m -53.6 144.65 16.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 -179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -89.47 159.06 17.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 0.0 110.855 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.7 t -52.82 150.2 5.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -90.26 163.37 30.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.542 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 4' ' ' GLY . 75.3 p 36.13 41.37 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.837 0.351 . . . . 0.0 110.868 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -114.46 117.67 31.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.81 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 8' ' ' ALA . . . 151.29 -176.32 29.81 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -35.15 131.38 0.42 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.772 0.32 . . . . 0.0 111.131 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -85.41 77.89 9.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -120.68 119.81 33.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 ptt85 -132.54 -53.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.9 p -50.59 -24.77 3.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.8 tt -49.71 -25.57 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 4.9 pt20 -57.17 -32.23 66.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.429 ' N ' ' HG3' ' A' ' 14' ' ' GLN . . . -61.33 -28.46 69.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -54.6 131.66 64.2 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.615 0.722 . . . . 0.0 110.942 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 -46.95 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.652 2.235 . . . . 0.0 112.329 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.463 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 13.9 p-90 -67.1 -8.39 30.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.442 ' CD2' HD22 ' A' ' 13' ' ' LEU . 9.7 t80 -93.11 112.87 24.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.577 ' O ' HG23 ' A' ' 23' ' ' ILE . 16.9 m-85 -114.18 30.77 7.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 49.83 -139.78 17.31 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.418 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.51 108.97 20.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.763 0.316 . . . . 0.0 111.094 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.747 HD11 ' HB2' ' A' ' 28' ' ' ALA . 16.8 pt -138.24 163.67 28.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -94.84 155.8 16.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -47.24 -31.28 3.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.29 -44.04 84.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -68.03 -43.67 78.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.747 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -68.77 -46.99 67.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.432 ' HA ' HG21 ' A' ' 64' ' ' VAL . 11.4 mt-10 -58.65 -35.05 71.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -67.38 -41.51 84.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -71.51 -32.58 68.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.441 HD22 ' O ' ' A' ' 41' ' ' ALA . 86.4 mt -76.9 -53.42 7.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 18.2 mt -58.38 -12.87 4.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -41.33 158.15 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.1 t -71.0 -60.6 2.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -46.03 -33.16 3.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -83.72 149.79 26.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.456 ' C ' HD23 ' A' ' 59' ' ' LEU . 8.2 pt20 -146.8 -179.34 6.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 38' ' ' GLN . 85.9 m -35.98 117.36 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.138 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.64 -37.81 2.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.441 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -42.32 113.09 0.41 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.79 0.329 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.707 ' CB ' HG22 ' A' ' 58' ' ' VAL . 24.3 p90 -119.11 162.03 19.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.465 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.0 OUTLIER -171.02 126.83 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.0 mp -99.04 137.25 27.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.0 ptt85 -131.63 166.56 21.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.464 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 9.1 mt-10 -87.11 128.11 35.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.7 t -63.42 118.21 7.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -65.2 -47.39 77.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.3 t -46.95 -70.44 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -110.51 105.14 13.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -50.59 147.24 4.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.52 -42.68 1.9 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.502 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.52 173.13 2.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.903 0.383 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.464 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 87.4 m-85 -146.68 147.53 31.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.0 m -122.31 126.7 48.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.628 ' HB2' HD11 ' A' ' 69' ' ' ILE . 6.4 tp -95.48 112.44 24.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.988 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.1 m -105.45 122.22 45.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.707 HG22 ' CB ' ' A' ' 42' ' ' PHE . 16.6 t -127.82 142.92 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.666 HD11 ' HA2' ' A' ' 62' ' ' GLY . 49.5 tp -89.97 135.98 33.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.974 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.489 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.1 t70 -134.94 77.27 1.67 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.814 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 74.98 25.03 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.666 ' HA2' HD11 ' A' ' 59' ' ' LEU . . . 110.79 -14.2 29.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.464 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 60' ' ' ASP . 3.0 p -99.65 130.22 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.118 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.432 HG21 ' HA ' ' A' ' 29' ' ' GLU . 70.8 t -94.23 110.85 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.597 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -87.33 108.08 18.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 15.1 m80 -83.48 112.18 19.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.597 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 88.0 m-85 -106.49 125.68 51.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.4 ttm-85 -72.85 123.74 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.628 HD11 ' HB2' ' A' ' 56' ' ' LEU . 56.9 mt -102.03 98.11 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.474 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 98.3 mtt180 -80.86 156.44 26.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.958 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.502 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 5.2 mtp-105 -120.38 148.94 43.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.611 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.6 OUTLIER -97.9 -178.63 4.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.949 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -108.65 -6.99 15.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -119.94 -22.61 6.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -111.45 -115.34 3.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.452 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -149.86 -94.55 0.12 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.441 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.502 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 32.8 m-85 -120.62 151.07 39.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 0.0 110.887 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.611 ' CE1' HD11 ' A' ' 72' ' ' LEU . 7.7 p90 -156.79 130.32 8.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.484 HD11 ' HB3' ' A' ' 67' ' ' TYR . 12.1 tp -86.7 -24.21 25.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.5 ' CG2' ' HG2' ' A' ' 82' ' ' ARG . 10.0 t -145.77 143.4 29.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.533 ' HD3' ' CE2' ' A' ' 78' ' ' PHE . 18.0 mmt180 -59.55 -13.58 9.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.5 ' HG2' ' CG2' ' A' ' 80' ' ' THR . 3.1 ptp180 -86.12 -0.22 55.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.517 ' HE2' ' CZ ' ' A' ' 94' ' ' TYR . 15.0 mmmt -155.94 161.05 40.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 83' ' ' LYS . 92.7 t -161.0 137.15 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.517 ' CG ' ' HA ' ' A' ' 91' ' ' PHE . 24.0 m-85 -120.16 -177.03 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.1 m -104.42 -52.5 2.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 47.1 p -128.64 155.86 44.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.492 HD12 HD11 ' A' ' 13' ' ' LEU . 84.6 mt -45.18 -26.39 0.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -62.34 -68.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -56.94 -25.85 58.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.559 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.1 t80 -62.33 -38.2 88.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 70.6 t -92.46 -39.91 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.041 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -54.77 -25.32 27.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.517 ' CZ ' ' HE2' ' A' ' 83' ' ' LYS . 33.7 t80 -80.02 -60.26 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.43 ' O ' ' N ' ' A' ' 98' ' ' THR . 43.5 m-85 -54.85 -43.03 72.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.8 p -42.13 -25.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.12 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 95' ' ' TYR . 11.9 p -89.16 -37.44 15.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 95' ' ' TYR . 13.3 t -152.2 145.3 24.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 89.0 p -68.13 -31.83 71.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.828 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.3 t0 60.47 29.06 18.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 109.36 -28.18 11.33 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.548 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 103' ' ' CYS . 2.7 mt -49.88 135.19 20.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.339 . . . . 0.0 110.874 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 102' ' ' LEU . 42.4 t -33.89 -39.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.453 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 1.4 p -149.25 155.12 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.453 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 32.6 ttpt -87.73 132.16 34.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.479 ' CD2' HG21 ' A' ' 58' ' ' VAL . 26.7 mt -60.14 106.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.949 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.13 -70.79 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -135.22 152.33 76.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.531 0.682 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 151.89 69.2 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.703 2.269 . . . . 0.0 112.311 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 11.1 t -60.52 166.34 3.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 14.5 mt -99.38 172.14 7.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -114.06 118.2 33.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 55.4 mt -83.67 145.48 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -108.37 94.34 5.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.4 m -99.29 150.75 5.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 40.0 t -145.08 152.05 39.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.401 ' HA2' ' HD2' ' A' ' 118' ' ' PRO . . . 68.17 93.09 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.524 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.401 ' HD2' ' HA2' ' A' ' 117' ' ' GLY . 53.6 Cg_endo -69.73 88.04 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.612 2.208 . . . . 0.0 112.394 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.2 m -155.95 167.11 31.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.8 t -84.23 -50.66 7.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.411 -0.276 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t -98.84 -57.47 2.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.889 0.376 . . . . 0.0 110.863 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -52.88 -56.87 12.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.883 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.03 134.28 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m -96.76 155.76 16.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.966 0.413 . . . . 0.0 110.9 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 t -83.06 79.89 9.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.02 90.19 1.93 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.27 145.68 25.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.712 0.291 . . . . 0.0 111.081 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.4 ' OE2' ' OE2' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -59.95 -31.96 70.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.408 ' CG ' ' CZ ' ' A' ' 19' ' ' PHE . 14.7 m-20 -91.18 37.91 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.826 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -44.72 -71.2 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.0 m -75.05 -20.62 59.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.486 HD23 ' HG3' ' A' ' 16' ' ' GLU . 6.3 mt -70.09 -28.86 65.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -54.43 -21.2 9.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.48 -29.85 23.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.075 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.486 ' HG3' HD23 ' A' ' 13' ' ' LEU . 75.3 mm-40 -55.31 129.72 68.68 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.666 0.746 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -40.83 4.83 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 21.5 p-90 -69.25 -15.41 63.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.408 ' CZ ' ' CG ' ' A' ' 10' ' ' ASP . 19.2 t80 -86.63 128.19 34.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.802 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.649 ' O ' HG23 ' A' ' 23' ' ' ILE . 5.9 m-85 -129.18 42.66 3.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 44.27 -123.36 4.95 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.03 100.87 8.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.709 0.29 . . . . 0.0 111.051 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.668 HD11 ' HB2' ' A' ' 28' ' ' ALA . 18.9 pt -129.25 162.85 35.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.108 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -92.14 154.62 18.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.947 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -47.16 -28.35 1.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.4 -47.42 67.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -68.96 -31.96 71.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.668 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -78.71 -41.63 30.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.053 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.565 ' HG2' HG21 ' A' ' 64' ' ' VAL . 13.8 mt-10 -59.62 -59.19 5.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -45.85 -33.04 2.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.447 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 19.3 mm-40 -73.87 -38.14 64.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.3 mt -74.98 -53.49 8.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 20.3 mt -55.87 -13.87 2.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -43.94 168.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 37' ' ' ASN . 95.6 p -82.54 -66.62 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.821 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -38.81 -26.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 35' ' ' SER . 92.0 m-20 -88.87 144.95 25.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.406 ' C ' HD23 ' A' ' 59' ' ' LEU . 9.8 pt20 -132.42 178.45 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.479 HG23 ' HA ' ' A' ' 60' ' ' ASP . 73.2 m -46.86 110.19 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.68 -33.52 2.4 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.455 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.89 120.19 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 111.092 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.828 ' CE2' HG11 ' A' ' 92' ' ' VAL . 39.0 p90 -125.16 151.23 46.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.615 HD21 ' HB1' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -155.98 134.6 11.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -104.65 148.65 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.07 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 57' ' ' SER . 2.5 ptt-85 -145.59 164.4 31.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.56 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 24.6 mt-10 -87.68 139.26 30.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 t -52.25 140.18 22.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -80.99 -51.91 8.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.4 t -90.52 32.73 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -168.51 159.6 10.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -121.75 123.74 42.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.425 ' O ' ' CE1' ' A' ' 54' ' ' PHE . . . 112.24 -41.62 2.18 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.507 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.484 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 4.1 m-20 -65.24 176.62 1.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 71.8 m-85 -154.98 158.26 38.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.451 ' O ' ' NH1' ' A' ' 45' ' ' ARG . 62.7 m -129.54 134.94 48.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.838 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 tp -101.94 107.5 18.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -97.77 116.37 29.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.642 HG22 ' HB3' ' A' ' 42' ' ' PHE . 23.1 t -121.3 151.58 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.116 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.487 HD11 ' HA2' ' A' ' 62' ' ' GLY . 16.9 tp -102.83 131.03 50.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.977 ' O ' HG12 ' A' ' 63' ' ' VAL . 3.6 t70 -134.96 86.89 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 68.57 34.35 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.5 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 97.28 -14.35 63.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.546 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.977 HG12 ' O ' ' A' ' 60' ' ' ASP . 9.8 p -90.01 152.77 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.924 0.392 . . . . 0.0 111.118 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.565 HG21 ' HG2' ' A' ' 29' ' ' GLU . 97.5 t -116.93 107.17 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.197 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.54 ' HE3' HG11 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -90.39 109.83 20.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -83.25 114.88 21.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.737 ' CE1' HD23 ' A' ' 102' ' ' LEU . 93.4 m-85 -106.46 119.09 38.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -68.69 115.28 7.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.434 HD12 ' HB3' ' A' ' 54' ' ' PHE . 44.8 mt -87.76 96.22 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.158 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 12.3 mmm-85 -73.46 156.11 38.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.583 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 12.0 mtp-105 -131.33 148.9 52.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.682 HD11 ' CD2' ' A' ' 78' ' ' PHE . 0.3 OUTLIER -100.49 -178.91 3.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -106.51 -7.59 17.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -123.6 -25.53 4.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -102.51 -120.89 4.81 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -143.84 -99.28 0.29 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.457 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.583 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 28.3 m-85 -122.82 155.99 35.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.347 . . . . 0.0 110.902 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.682 ' CD2' HD11 ' A' ' 72' ' ' LEU . 2.9 p90 -160.56 129.17 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 67' ' ' TYR . 10.8 tp -87.11 -14.85 40.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.622 HG23 ' H ' ' A' ' 83' ' ' LYS . 9.6 t -154.98 125.55 6.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -42.45 -23.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 80' ' ' THR . 10.4 mmm180 -65.88 -45.24 82.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.622 ' H ' HG23 ' A' ' 80' ' ' THR . 56.8 tptt -123.18 149.77 44.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.556 HG22 ' CB ' ' A' ' 78' ' ' PHE . 73.0 t -141.53 148.99 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.081 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.435 ' CG ' ' HA ' ' A' ' 91' ' ' PHE . 15.1 m-85 -124.87 -177.02 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.9 m -106.19 -49.03 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.81 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 66.4 p -133.19 154.43 50.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.129 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.466 ' HB2' HD21 ' A' ' 13' ' ' LEU . 96.0 mt -44.24 -27.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.912 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.417 ' OD1' ' ND2' ' A' ' 93' ' ' ASN . 2.3 t-20 -60.41 -65.35 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -61.0 -22.55 64.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.463 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 4.4 t80 -62.92 -40.46 97.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.828 HG11 ' CE2' ' A' ' 42' ' ' PHE . 94.0 t -92.0 -39.28 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.417 ' ND2' ' OD1' ' A' ' 89' ' ' ASN . 79.4 m-20 -57.28 -17.77 13.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -87.0 -63.78 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.45 ' CD2' ' O ' ' A' ' 91' ' ' PHE . 47.2 m-85 -47.39 -42.97 23.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.8 p -42.01 -24.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.203 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.429 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 4.8 p -90.87 -36.27 14.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 95' ' ' TYR . 7.4 t -156.3 130.58 8.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.617 ' O ' HD12 ' A' ' 102' ' ' LEU . 40.1 p -49.11 -45.37 43.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.5 t70 70.45 48.32 0.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.0 2.49 86.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.737 HD23 ' CE1' ' A' ' 67' ' ' TYR . 3.4 mt -85.39 134.37 34.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 102' ' ' LEU . 35.8 t -34.03 -41.48 0.1 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.416 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 1.6 p -146.46 153.48 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.188 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.429 ' HD2' ' C ' ' A' ' 97' ' ' THR . 20.7 ttpt -87.53 126.91 35.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 18.5 mt -54.98 115.97 2.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -99.17 -55.01 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.551 ' C ' ' CE1' ' A' ' 42' ' ' PHE . 1.7 ptpt -142.33 154.94 64.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 166.95 25.94 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.743 2.295 . . . . 0.0 112.318 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.478 ' CB ' ' HB3' ' A' ' 43' ' ' LEU . 54.1 t -79.42 143.26 35.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.7 mt -72.4 157.62 37.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -117.98 108.52 15.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 21.2 mm -78.41 140.93 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.234 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -122.3 137.54 54.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 16.3 m -90.49 -25.0 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.7 t -111.53 -63.47 1.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 121.85 -158.22 16.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.513 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 107.18 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.665 2.243 . . . . 0.0 112.365 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 58.2 p -120.4 171.2 8.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.824 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 t -121.43 151.77 39.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.472 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.2 p 38.66 42.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.7 p -108.68 89.51 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.08 126.91 0.3 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.456 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.0 t -96.32 133.26 40.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.896 0.379 . . . . 0.0 110.806 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 7' ' ' GLY . 4.2 m -90.04 80.12 6.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.91 90.11 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.447 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -142.58 126.54 17.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.733 0.301 . . . . 0.0 111.156 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -85.78 47.26 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -146.42 135.51 22.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.77 -20.0 5.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.14 -27.91 14.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.481 HD11 HD12 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -54.34 -28.46 42.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.953 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -51.57 -29.25 16.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.03 -32.0 73.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -54.5 131.24 63.27 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.6 0.714 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.438 ' HA ' ' NZ ' ' A' ' 112' ' ' LYS . 54.2 Cg_endo -69.69 -46.71 1.15 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.641 2.227 . . . . 0.0 112.433 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.443 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 11.1 p-90 -66.02 -8.71 24.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.468 ' CG ' ' CD2' ' A' ' 13' ' ' LEU . 12.4 t80 -91.81 119.17 31.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -118.58 18.25 13.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.28 -125.41 10.65 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' A' ' 46' ' ' GLU . . . -118.12 101.66 8.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.76 0.315 . . . . 0.0 111.108 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.481 HD11 ' HB2' ' A' ' 28' ' ' ALA . 8.1 pt -128.93 165.64 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -88.96 152.5 21.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 3.4 ptm180 -46.9 -35.3 6.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.408 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -62.84 -44.35 96.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -67.69 -35.46 78.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.481 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -72.27 -48.17 44.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 32' ' ' LEU . 22.7 mt-10 -51.21 -62.36 1.66 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.2 mttt -43.41 -41.78 4.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -68.38 -34.18 75.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.974 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.745 HD12 HG13 ' A' ' 64' ' ' VAL . 8.9 mt -74.46 -56.77 4.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 34' ' ' TYR . 12.9 mt -55.16 -18.82 6.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.495 ' CE1' HG12 ' A' ' 113' ' ' ILE . 7.3 t80 -35.31 148.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.5 m -64.78 -67.23 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.546 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 6.4 mm-40 -39.33 -33.91 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -84.19 141.76 30.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.546 ' NE2' ' O ' ' A' ' 36' ' ' GLU . 13.9 mp0 -132.66 171.6 13.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.79 HG23 ' HA ' ' A' ' 60' ' ' ASP . 91.5 m -36.88 111.73 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.05 -33.9 2.33 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.436 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.3 120.22 2.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.364 . . . . 0.0 111.11 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.823 ' CE2' HG11 ' A' ' 92' ' ' VAL . 29.7 p90 -127.71 144.24 51.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.594 ' O ' HD12 ' A' ' 43' ' ' LEU . 2.3 pp -152.76 130.7 11.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.491 HG21 HD22 ' A' ' 88' ' ' LEU . 3.7 mp -102.14 136.8 32.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.434 ' NH2' ' HB3' ' A' ' 57' ' ' SER . 10.2 ptt-85 -134.28 166.33 23.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.449 ' HB2' ' HB2' ' A' ' 22' ' ' ALA . 29.8 mt-10 -86.36 136.46 33.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.3 t -77.97 112.87 15.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -45.0 169.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.9 p 40.64 34.82 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -169.48 135.0 1.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -110.58 130.33 55.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.468 ' O ' ' CE1' ' A' ' 54' ' ' PHE . . . 101.44 -32.52 7.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -75.79 148.32 38.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 0.0 110.81 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' A' ' 52' ' ' GLY . 93.0 m-85 -138.98 169.73 17.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.2 m -137.24 131.94 33.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.479 ' CD2' HD22 ' A' ' 79' ' ' LEU . 10.7 tp -99.11 111.59 23.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.434 ' HB3' ' NH2' ' A' ' 45' ' ' ARG . 1.7 p -108.29 120.38 42.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.674 HG22 ' HB3' ' A' ' 42' ' ' PHE . 15.5 t -124.73 148.93 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.568 HD11 ' HA2' ' A' ' 62' ' ' GLY . 7.4 tp -99.37 136.41 39.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.79 ' HA ' HG23 ' A' ' 39' ' ' THR . 1.0 OUTLIER -134.81 79.33 1.79 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.834 179.85 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 74.82 25.9 1.41 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.568 ' HA2' HD11 ' A' ' 59' ' ' LEU . . . 108.05 -12.27 37.55 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.637 HG12 ' O ' ' A' ' 60' ' ' ASP . 5.4 p -96.58 127.34 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 111.101 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.745 HG13 HD12 ' A' ' 32' ' ' LEU . 83.1 t -94.54 109.48 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.166 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.588 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -87.56 111.04 20.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.9 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -83.75 110.54 18.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.845 ' HB3' HD11 ' A' ' 79' ' ' LEU . 92.6 m-85 -106.99 116.09 31.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.434 ' O ' HD12 ' A' ' 79' ' ' LEU . 16.8 tpp180 -70.77 126.76 30.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.6 mt -99.57 101.23 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.482 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 23.7 mtp180 -87.13 142.55 27.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.6 mtp-105 -106.23 155.36 19.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.723 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -105.97 -177.38 3.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -102.84 -10.73 18.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -119.3 -42.8 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.59 -117.19 0.75 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.522 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -156.34 -99.47 0.16 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -113.31 139.59 48.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.752 ' CB ' HG22 ' A' ' 84' ' ' VAL . 4.4 p90 -151.69 129.38 11.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.845 HD11 ' HB3' ' A' ' 67' ' ' TYR . 14.6 tp -89.68 -22.8 22.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.51 HG23 ' H ' ' A' ' 83' ' ' LYS . 6.6 t -144.91 124.48 13.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 81' ' ' ARG . 5.2 mmm180 -41.52 -24.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.443 ' NH2' ' OD2' ' A' ' 100' ' ' ASP . 30.2 mtm180 -62.57 -44.66 95.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.563 ' HE2' ' CE1' ' A' ' 94' ' ' TYR . 37.8 tptt -128.32 145.18 51.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.752 HG22 ' CB ' ' A' ' 78' ' ' PHE . 42.0 t -135.09 157.5 40.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.07 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.528 ' CG ' ' HA ' ' A' ' 91' ' ' PHE . 14.9 m-85 -134.68 -174.83 3.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.0 m -113.29 -45.41 3.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 44.6 p -130.49 152.59 49.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.491 HD22 HG21 ' A' ' 44' ' ' ILE . 96.6 mt -45.05 -27.86 0.63 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -62.52 -65.93 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -60.29 -16.49 34.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.0 OUTLIER -70.58 -39.23 73.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.823 HG11 ' CE2' ' A' ' 42' ' ' PHE . 61.1 t -92.65 -33.94 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -56.46 -30.65 63.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.563 ' CE1' ' HE2' ' A' ' 83' ' ' LYS . 87.3 t80 -78.11 -66.49 0.84 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.455 ' O ' ' N ' ' A' ' 97' ' ' THR . 39.6 m-85 -48.89 -43.7 39.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.903 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.564 HG23 HG12 ' A' ' 92' ' ' VAL . 1.9 p -41.29 -24.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 95' ' ' TYR . 9.8 p -89.32 -38.15 14.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.166 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 95' ' ' TYR . 6.6 t -150.44 158.75 44.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 101' ' ' GLY . 6.3 p -103.18 39.9 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.866 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.443 ' OD2' ' NH2' ' A' ' 82' ' ' ARG . 4.2 t70 -39.38 96.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 92.16 -42.77 2.71 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.52 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.56 HD23 ' CZ ' ' A' ' 67' ' ' TYR . 2.7 mt -59.25 146.76 38.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 9.0 m -59.95 -37.25 79.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.549 HG13 HG11 ' A' ' 58' ' ' VAL . 2.0 p -141.52 158.39 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.492 ' N ' HG22 ' A' ' 104' ' ' VAL . 30.5 ttpt -88.72 136.97 32.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.951 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.556 ' CD2' HG21 ' A' ' 58' ' ' VAL . 18.9 mt -67.06 105.81 1.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -83.39 -66.62 0.87 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -138.05 152.71 72.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.666 0.746 . . . . 0.0 110.835 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 145.85 58.47 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.752 2.301 . . . . 0.0 112.359 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 50.2 t -49.71 157.0 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.8 mt -93.72 173.35 7.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.438 ' NZ ' ' HA ' ' A' ' 17' ' ' PRO . 2.0 mptt -121.07 120.75 36.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.537 ' H ' HD12 ' A' ' 113' ' ' ILE . 5.0 mp -80.39 152.06 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.404 ' N ' HG22 ' A' ' 113' ' ' ILE . 64.1 tp60 -82.5 123.26 29.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.1 p -147.9 145.31 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 43.5 m -133.91 144.34 48.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 56.7 -178.08 0.78 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.437 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 -25.54 28.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.691 2.26 . . . . 0.0 112.389 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 73.5 m 60.62 51.14 5.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.5 p -142.25 127.63 18.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.437 179.956 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 t -81.38 124.14 29.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.859 0.361 . . . . 0.0 110.822 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -174.51 178.06 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.81 -173.98 5.67 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.9 p -137.57 115.7 11.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.836 0.35 . . . . 0.0 110.829 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.5 p 43.02 41.1 2.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.62 81.7 1.68 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.426 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -174.9 141.65 0.62 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.747 0.308 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -75.88 -62.37 1.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -71.67 -179.29 2.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -120.11 -58.43 1.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.9 m -65.5 -18.33 65.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.659 HD22 ' CD2' ' A' ' 19' ' ' PHE . 1.7 tt -55.14 -32.84 62.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -52.01 -31.15 28.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.6 -29.4 70.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -54.48 127.6 58.55 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.629 0.728 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 -47.2 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.754 2.303 . . . . 0.0 112.3 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.502 ' CH2' ' HB3' ' A' ' 88' ' ' LEU . 13.0 p-90 -64.04 -18.75 64.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.968 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.659 ' CD2' HD22 ' A' ' 13' ' ' LEU . 7.9 t80 -83.72 110.23 18.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -106.12 25.6 10.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 56.27 -126.37 40.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.37 107.43 17.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.341 . . . . 0.0 111.086 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.968 HD11 ' HB2' ' A' ' 28' ' ' ALA . 8.6 pt -131.21 178.48 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -104.73 156.12 18.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.539 ' N ' HH21 ' A' ' 45' ' ' ARG . 10.0 ptp180 -47.82 -36.24 11.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.845 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.88 -49.11 69.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.4 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . 6.0 t0 -58.8 -39.69 81.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.968 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -75.78 -40.91 54.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -63.44 -43.96 95.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 31' ' ' GLN . 5.6 ptpp? -61.41 -33.04 73.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.479 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 19.1 mm-40 -73.41 -34.34 65.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.943 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.58 HD12 HG13 ' A' ' 64' ' ' VAL . 55.9 mt -77.34 -50.77 12.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 25.2 mt -61.24 -13.4 18.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.415 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 7.8 t80 -44.66 169.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 37' ' ' ASN . 91.6 p -86.5 -62.94 1.4 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.872 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -41.48 -24.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 86.9 m-20 -92.66 159.19 15.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.452 ' C ' HD23 ' A' ' 59' ' ' LEU . 10.9 mm-40 -151.3 170.33 19.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.957 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 38' ' ' GLN . 96.5 m -34.16 116.89 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.55 -37.23 2.47 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.518 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.19 117.5 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.772 ' HB3' HG22 ' A' ' 58' ' ' VAL . 20.4 p90 -121.81 157.98 29.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.806 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.678 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.1 pp -163.67 131.81 3.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.4 mp -98.97 142.1 15.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.539 HH21 ' N ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -136.42 153.54 51.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -74.52 115.75 14.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.0 t -45.5 97.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' SER . 39.8 tt0 -45.37 -56.82 4.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' GLU . 20.1 t -38.0 -71.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -113.96 118.59 34.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.2 tttt -59.55 158.74 9.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.64 -48.42 2.31 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.435 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.08 173.3 4.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -142.0 157.21 45.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -132.7 135.7 45.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.423 HD22 HD22 ' A' ' 79' ' ' LEU . 8.6 tp -102.17 125.11 48.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.2 m -116.32 112.86 22.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.791 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.772 HG22 ' HB3' ' A' ' 42' ' ' PHE . 13.0 t -118.35 137.38 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.452 HD23 ' C ' ' A' ' 38' ' ' GLN . 11.2 tp -84.72 132.88 34.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.972 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.7 t70 -135.0 83.93 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 69.92 42.91 0.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.501 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 88.91 -12.63 65.3 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.541 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.972 HG12 ' O ' ' A' ' 60' ' ' ASP . 5.5 p -92.04 153.63 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.888 0.375 . . . . 0.0 111.104 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.58 HG13 HD12 ' A' ' 32' ' ' LEU . 61.5 t -115.93 108.36 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.138 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.618 ' HE3' HG11 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -89.99 107.19 18.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -85.8 110.17 19.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 79.7 m-85 -107.31 116.18 31.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -68.37 124.16 22.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 64.2 mt -94.48 101.67 12.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 69.4 mtt-85 -84.87 140.85 30.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.561 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 9.6 mtp-105 -107.19 151.24 25.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 76' ' ' GLY . 3.7 mm? -81.14 158.18 25.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.961 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -38.21 -36.85 0.24 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -80.76 -45.83 16.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.467 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . 153.2 -31.23 0.79 Allowed Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.42 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 75' ' ' GLY . . . -32.9 124.55 0.29 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.466 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.561 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 23.2 m-85 -90.36 139.63 30.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.906 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -150.78 140.24 21.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.673 ' CD2' HD21 ' A' ' 102' ' ' LEU . 12.2 tp -93.97 -13.87 26.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.5 t -152.04 150.91 30.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 81' ' ' ARG . 4.3 mmm180 -74.79 47.0 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -134.99 -30.84 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.524 ' HE3' ' CZ ' ' A' ' 94' ' ' TYR . 1.0 OUTLIER -143.78 138.59 28.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 82.3 t -125.36 140.73 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -110.76 -176.04 2.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.0 m -105.31 -44.71 4.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.805 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 89' ' ' ASN . 56.7 p -141.84 151.42 42.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.585 HD12 HD11 ' A' ' 13' ' ' LEU . 87.2 mt -39.7 -25.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 87' ' ' THR . 1.9 t-20 -61.34 -69.58 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -56.65 -23.41 41.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 2.5 t80 -61.55 -39.36 90.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.7 t -91.56 -44.7 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -51.27 -24.91 4.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.524 ' CZ ' ' HE3' ' A' ' 83' ' ' LYS . 74.4 t80 -89.96 -64.69 1.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -47.32 -39.97 16.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.2 p -52.7 -32.1 40.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 52.5 p -83.64 -24.99 31.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.157 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.2 t -158.43 138.44 12.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.485 ' N ' ' HG3' ' A' ' 105' ' ' LYS . 14.1 p -67.65 -43.45 80.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.4 t70 60.15 42.61 15.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 108.34 -43.01 1.79 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.425 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.673 HD21 ' CD2' ' A' ' 79' ' ' LEU . 2.6 mt -40.82 131.94 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.745 0.307 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 102' ' ' LEU . 52.0 t -35.32 -39.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.689 HG13 HG11 ' A' ' 58' ' ' VAL . 2.1 p -149.15 156.0 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.485 ' HG3' ' N ' ' A' ' 99' ' ' SER . 2.6 ttmm -81.5 148.83 29.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 21.6 mt -79.11 107.97 12.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.831 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -85.29 -61.14 1.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -145.99 152.62 48.11 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.59 0.709 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 145.55 57.26 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.706 2.27 . . . . 0.0 112.33 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.5 t -54.27 168.64 0.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.7 mt -90.49 163.46 14.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -118.9 78.23 1.26 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.415 HD11 ' CZ ' ' A' ' 34' ' ' TYR . 47.8 mm -41.42 142.14 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -65.65 112.9 3.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 23.1 m -119.26 -19.52 5.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 25.5 m -133.76 134.52 43.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.809 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -95.87 144.83 17.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.526 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 123.68 10.34 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 24.4 p -138.75 119.98 14.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 54.5 p -47.84 -46.11 30.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.546 179.98 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.407 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.1 p -75.7 107.06 7.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.811 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t -110.09 80.24 1.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.45 -121.55 0.73 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.1 p -164.23 157.93 18.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.917 0.389 . . . . 0.0 110.791 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -125.97 159.22 33.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.86 121.66 6.84 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.442 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.4 161.43 13.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.784 0.326 . . . . 0.0 111.093 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -80.46 -64.86 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -61.22 166.88 3.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 mtp85 -134.38 -68.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.6 m -59.98 -11.91 6.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.4 tt -62.53 -26.3 68.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -62.04 -25.95 67.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.954 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.97 -34.68 78.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.064 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -44.66 130.85 5.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.698 0.761 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -40.97 4.6 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 11.1 p-90 -74.06 -14.57 61.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.533 ' CD2' HD22 ' A' ' 13' ' ' LEU . 12.9 t80 -85.76 124.31 32.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.564 ' O ' HG23 ' A' ' 23' ' ' ILE . 3.5 m-85 -124.34 49.71 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 20' ' ' PHE . . . 38.12 -119.83 0.83 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.511 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.19 103.25 8.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.762 HD11 ' HB2' ' A' ' 28' ' ' ALA . 9.7 pt -126.41 177.28 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -102.22 149.01 24.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.6 ptt180 -44.39 -33.46 1.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.21 -44.97 90.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.91 -39.77 87.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.762 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -69.8 -47.27 63.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.405 ' HG2' HG21 ' A' ' 64' ' ' VAL . 22.4 mt-10 -51.54 -53.13 41.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -51.42 -42.71 61.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -64.14 -36.73 84.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.634 HD11 ' HB3' ' A' ' 57' ' ' SER . 60.2 mt -74.29 -59.76 2.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 19.4 mt -51.66 -18.25 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 33' ' ' LEU . 10.9 t80 -36.51 154.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 t -70.97 -63.15 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.422 ' HB2' ' CD1' ' A' ' 111' ' ' LEU . 62.7 mt-10 -43.86 -35.8 2.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -79.9 139.27 37.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.813 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 39' ' ' THR . 27.5 mt-30 -130.86 171.54 13.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 38' ' ' GLN . 37.5 m -35.29 116.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.62 -34.34 3.04 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.459 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.23 119.32 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.329 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.878 ' HB3' HG22 ' A' ' 58' ' ' VAL . 21.3 p90 -123.67 153.32 40.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.581 HD21 ' HB1' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -158.39 129.55 6.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -99.06 139.44 20.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.482 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 16.5 ptt-85 -141.73 152.21 43.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.84 156.08 37.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.5 p -78.6 116.85 19.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -51.5 153.51 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.9 t 48.42 37.24 8.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -174.36 142.33 0.77 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -124.18 109.72 13.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.441 ' O ' ' NH1' ' A' ' 71' ' ' ARG . . . 143.7 -18.44 2.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -103.93 176.61 5.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.836 0.35 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.429 ' C ' HD12 ' A' ' 69' ' ' ILE . 95.7 m-85 -155.07 148.17 24.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 t -125.85 132.07 52.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.7 tp -95.45 116.52 28.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.634 ' HB3' HD11 ' A' ' 32' ' ' LEU . 1.7 m -106.53 113.99 27.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.808 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.878 HG22 ' HB3' ' A' ' 42' ' ' PHE . 22.9 t -121.4 152.43 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.121 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.53 HD12 ' O ' ' A' ' 63' ' ' VAL . 15.7 tp -98.88 132.53 44.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.965 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.924 ' O ' HG12 ' A' ' 63' ' ' VAL . 2.3 t70 -135.03 84.34 2.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 68.07 50.43 0.8 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.499 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 82.34 -12.51 44.96 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.439 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.924 HG12 ' O ' ' A' ' 60' ' ' ASP . 3.3 p -91.62 161.68 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.948 0.404 . . . . 0.0 111.124 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.431 HG13 HD12 ' A' ' 32' ' ' LEU . 97.6 t -123.76 105.98 16.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.664 ' HE3' HG11 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -87.42 105.53 17.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.896 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -83.39 110.48 18.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.645 ' HB3' HD11 ' A' ' 79' ' ' LEU . 86.7 m-85 -106.85 113.3 26.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.1 mmm-85 -70.2 126.56 30.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.429 HD12 ' C ' ' A' ' 54' ' ' PHE . 5.8 mt -101.3 128.94 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.175 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.418 ' NE ' ' CZ ' ' A' ' 78' ' ' PHE . 2.9 ptm180 -114.78 165.29 12.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.596 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 34.6 mtp180 -125.55 147.24 49.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.729 HD11 ' CE1' ' A' ' 78' ' ' PHE . 1.2 mm? -95.8 -174.74 3.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -111.1 1.07 17.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -125.14 -22.72 4.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -120.31 -117.59 2.6 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -143.53 -120.65 1.5 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.434 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.596 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 9.9 m-85 -98.9 145.36 27.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.853 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.73 ' CB ' HG22 ' A' ' 84' ' ' VAL . 5.5 p90 -151.87 129.32 11.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.645 HD11 ' HB3' ' A' ' 67' ' ' TYR . 12.7 tp -88.24 -23.87 23.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.951 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 82' ' ' ARG . 6.7 t -144.65 124.98 13.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.112 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -42.09 -23.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' THR . 60.6 mtt-85 -61.72 -44.08 97.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.547 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 51.5 tptt -130.27 150.13 51.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.73 HG22 ' CB ' ' A' ' 78' ' ' PHE . 78.3 t -141.14 144.99 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.113 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 7.8 m-85 -121.11 -176.74 3.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.0 m -102.58 -50.96 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 75.1 p -129.39 166.14 20.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.088 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 45.0 mt -53.14 -27.2 19.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -62.22 -67.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -58.45 -22.04 53.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.967 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.559 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 1.6 t80 -63.24 -40.73 98.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.694 HG11 ' CE2' ' A' ' 42' ' ' PHE . 99.3 t -92.55 -37.92 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -55.65 -18.11 7.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.547 ' CE2' ' HE2' ' A' ' 83' ' ' LYS . 29.3 t80 -91.94 -64.92 1.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.47 ' CD1' HD12 ' A' ' 102' ' ' LEU . 32.4 m-85 -51.49 -28.71 14.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.61 -21.58 10.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.5 p -88.1 -40.71 13.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.189 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.1 t -149.52 163.56 37.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.487 ' HB3' ' CA ' ' A' ' 105' ' ' LYS . 37.8 p -105.97 37.56 2.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -41.6 97.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.11 -44.29 2.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.47 HD12 ' CD1' ' A' ' 95' ' ' TYR . 2.5 mt -61.76 150.35 37.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.2 t -59.6 -38.62 81.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.539 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.2 p -139.23 160.72 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.539 ' N ' HG22 ' A' ' 104' ' ' VAL . 12.1 ttmt -91.32 127.83 36.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.418 ' CD2' HG21 ' A' ' 58' ' ' VAL . 29.7 mt -58.0 115.25 2.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -94.2 -68.2 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.559 ' C ' ' CE1' ' A' ' 42' ' ' PHE . 31.1 mttp -137.89 152.61 72.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.556 0.693 . . . . 0.0 110.843 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 141.24 44.42 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.654 2.236 . . . . 0.0 112.353 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 12.0 t -51.12 146.98 5.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.422 ' CD1' ' HB2' ' A' ' 36' ' ' GLU . 11.7 mt -65.07 164.26 13.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.4 mttt -119.34 95.65 4.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.456 HG22 ' H ' ' A' ' 115' ' ' VAL . 78.3 mt -65.36 142.74 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -101.32 41.96 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.456 ' H ' HG22 ' A' ' 113' ' ' ILE . 61.1 t -118.32 134.78 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.175 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.1 t 62.53 37.78 12.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -109.08 -155.48 16.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.83 143.95 52.09 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.692 2.261 . . . . 0.0 112.355 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.7 m -62.93 171.57 2.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.809 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 54.4 p -159.77 126.49 4.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.456 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m -90.92 105.06 17.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.906 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 p -79.89 99.92 7.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.908 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.74 55.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.551 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -93.84 95.65 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.975 0.417 . . . . 0.0 110.812 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.2 m -83.85 153.54 23.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.08 -112.54 0.33 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.51 169.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.746 0.308 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.47 ' O ' ' C ' ' A' ' 10' ' ' ASP . 20.3 mt-10 -64.48 -57.5 9.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 9' ' ' GLU . 1.8 p-10 31.86 39.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 9' ' ' GLU . 15.1 mtp180 -70.11 -32.22 70.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.7 m -78.65 -20.21 50.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.046 HD11 HD12 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -59.33 -33.83 71.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.907 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -53.02 -21.81 5.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.31 -28.84 62.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.065 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.48 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 78.0 mm-40 -60.03 134.27 90.17 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.675 0.75 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -40.88 4.9 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.388 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.48 ' CZ2' ' HG3' ' A' ' 16' ' ' GLU . 22.2 p-90 -68.51 -11.4 59.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.658 ' CG ' HD22 ' A' ' 13' ' ' LEU . 8.7 t80 -92.07 119.44 31.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.411 ' O ' HG23 ' A' ' 23' ' ' ILE . 3.6 m-85 -115.65 25.88 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.845 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.42 -117.74 12.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.425 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -121.47 98.48 5.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.633 HD11 ' HB2' ' A' ' 28' ' ' ALA . 18.2 pt -125.77 172.97 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -99.12 159.23 15.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.445 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 8.8 ptt85 -50.23 -36.12 29.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.445 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -63.53 -42.91 98.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -70.79 -37.94 73.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.633 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -70.9 -38.96 73.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.098 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 32' ' ' LEU . 55.3 mt-10 -63.53 -64.56 0.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -39.8 -29.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -76.19 -40.01 53.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 29' ' ' GLU . 67.7 mt -75.59 -43.56 47.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.433 HD21 ' CG2' ' A' ' 64' ' ' VAL . 4.3 mm? -62.35 -13.49 29.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 1.057 ' CD2' HD21 ' A' ' 111' ' ' LEU . 4.8 t80 -45.13 170.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.2 t -88.89 -59.98 2.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -42.87 -27.27 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.792 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.41 ' ND2' HD23 ' A' ' 111' ' ' LEU . 86.7 m-20 -87.58 151.84 22.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.464 ' O ' HD23 ' A' ' 59' ' ' LEU . 2.6 pp0? -133.23 -174.69 3.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.415 HG23 ' HA ' ' A' ' 60' ' ' ASP . 58.5 m -54.32 106.94 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.232 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.93 -28.71 2.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.541 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.443 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -45.11 115.12 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.861 0.362 . . . . 0.0 111.017 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.982 ' CE2' HG11 ' A' ' 92' ' ' VAL . 21.9 p90 -120.3 153.31 36.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.619 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.4 pp -163.95 127.82 2.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mp -99.15 144.48 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.113 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.6 ptt85 -139.11 160.59 39.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -87.09 119.93 27.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.5 t -40.27 129.88 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -71.61 -49.79 36.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.2 t -61.66 -67.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -92.59 148.69 21.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -95.92 142.62 27.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.534 ' O ' ' CE1' ' A' ' 54' ' ' PHE . . . 99.0 -40.67 2.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.423 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.27 157.11 29.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.534 ' CE1' ' O ' ' A' ' 52' ' ' GLY . 81.7 m-85 -134.8 149.29 50.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 65.6 m -123.83 126.32 46.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.821 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.472 ' HB2' HD11 ' A' ' 69' ' ' ILE . 12.0 tp -93.15 110.71 22.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 t -102.21 117.18 34.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.536 HG22 ' HB3' ' A' ' 42' ' ' PHE . 16.4 t -124.15 152.18 29.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.492 HD11 ' HA2' ' A' ' 62' ' ' GLY . 24.5 tp -99.24 132.65 44.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.972 ' O ' HG12 ' A' ' 63' ' ' VAL . 3.1 t70 -134.03 82.14 1.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 70.75 42.63 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.492 ' HA2' HD11 ' A' ' 59' ' ' LEU . . . 88.88 -10.64 71.81 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.452 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.972 HG12 ' O ' ' A' ' 60' ' ' ASP . 6.1 p -94.39 154.27 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.339 . . . . 0.0 111.109 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.473 HG21 ' HG2' ' A' ' 29' ' ' GLU . 45.0 t -114.28 110.96 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -91.95 107.08 18.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -84.26 110.21 18.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 65' ' ' LYS . 67.3 m-85 -108.2 116.01 31.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -69.84 117.17 11.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.472 HD11 ' HB2' ' A' ' 56' ' ' LEU . 44.5 mt -89.13 103.74 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.499 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 27.7 mtm-85 -79.73 146.38 32.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.575 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 12.0 mtp-105 -118.4 149.3 41.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.727 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -101.09 166.78 10.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -95.9 -5.7 40.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -120.68 -25.93 5.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -106.74 -112.97 3.74 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.497 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -152.29 -93.18 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 9.7 m-85 -127.31 155.22 43.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.727 ' CE1' HD11 ' A' ' 72' ' ' LEU . 7.5 p90 -163.03 129.06 3.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.445 ' CD2' HD21 ' A' ' 102' ' ' LEU . 11.1 tp -87.03 -15.62 38.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.537 HG23 ' H ' ' A' ' 83' ' ' LYS . 3.1 t -160.47 125.56 3.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 80' ' ' THR . 17.4 mmm180 -33.52 -48.6 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.483 ' HG2' HG23 ' A' ' 80' ' ' THR . 0.1 OUTLIER -51.68 -45.18 63.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.537 ' H ' HG23 ' A' ' 80' ' ' THR . 9.7 tptt -113.33 124.82 53.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.543 HG13 ' HB3' ' A' ' 78' ' ' PHE . 99.6 t -134.18 136.43 53.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.475 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 23.2 m-85 -118.99 -174.69 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 m -110.81 -50.16 2.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.2 p -124.75 154.73 40.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 1.046 HD12 HD11 ' A' ' 13' ' ' LEU . 86.9 mt -47.36 -26.76 1.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -63.6 -63.55 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.403 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 10.2 mt-10 -63.03 -10.06 12.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.9 t80 -78.44 -40.87 34.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.982 HG11 ' CE2' ' A' ' 42' ' ' PHE . 45.2 t -92.7 -35.72 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -59.72 -18.05 39.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.536 ' CE2' ' HE2' ' A' ' 83' ' ' LYS . 45.3 t80 -92.36 -56.13 3.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.984 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -62.15 -12.78 21.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 92' ' ' VAL . 2.3 p -76.45 0.14 20.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.442 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 6.8 p -111.51 -26.33 9.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.0 t -162.35 157.49 22.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.9 p -106.79 59.27 0.63 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -49.96 87.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.809 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 87.11 -43.88 3.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.445 HD21 ' CD2' ' A' ' 79' ' ' LEU . 1.9 mt -46.51 135.63 8.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.919 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 44.8 t -43.17 -41.03 3.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.507 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 1.6 p -145.47 159.49 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.507 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 20.3 ttpp -92.56 130.16 38.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.499 ' CD1' HG13 ' A' ' 92' ' ' VAL . 18.8 mt -56.58 120.35 7.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -101.14 -66.03 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt -137.27 152.69 73.91 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.547 0.689 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 149.03 66.18 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.701 2.267 . . . . 0.0 112.309 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.5 t -61.48 151.28 33.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 1.057 HD21 ' CD2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -82.3 155.12 24.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.455 ' N ' HD12 ' A' ' 111' ' ' LEU . 54.4 mttt -106.84 141.27 38.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.466 ' N ' HD13 ' A' ' 113' ' ' ILE . 4.6 mm -79.74 141.45 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -60.75 87.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.2 p -39.0 133.65 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.2 t -97.07 163.92 12.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -163.64 143.43 8.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 88.3 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.685 2.257 . . . . 0.0 112.291 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.5 m -144.43 137.34 26.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 93.9 p -151.05 143.49 24.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.6 p -62.68 160.46 14.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.34 . . . . 0.0 110.914 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 p -38.83 132.4 1.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.784 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.46 94.29 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.439 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.6 m -129.6 134.59 47.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.1 m -115.18 161.05 18.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.78 -105.85 0.25 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.515 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.73 95.86 5.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.767 0.317 . . . . 0.0 111.089 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 10' ' ' ASP . 5.1 tp10 -108.09 45.08 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' GLU . 0.5 OUTLIER 33.47 51.63 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.68 -29.11 70.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 81.7 p -71.56 -25.79 62.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.816 HD11 HD12 ' A' ' 88' ' ' LEU . 2.0 tt -48.08 -25.37 1.41 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -52.5 -33.04 43.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.81 -32.75 72.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.053 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.423 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 27.6 mm-40 -53.92 131.69 58.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.649 0.738 . . . . 0.0 110.862 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -45.35 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.462 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 16.0 p-90 -64.9 -15.14 61.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.99 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.544 ' CG ' HD22 ' A' ' 13' ' ' LEU . 9.2 t80 -87.35 130.29 34.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.467 ' O ' HG23 ' A' ' 23' ' ' ILE . 7.8 m-85 -129.45 32.58 4.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.33 -120.32 15.44 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.569 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.88 103.55 9.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.707 0.289 . . . . 0.0 111.079 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.516 HD11 ' HB2' ' A' ' 28' ' ' ALA . 18.7 pt -129.43 174.42 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -100.92 163.4 12.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 11.3 ptt-85 -53.02 -34.48 56.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.437 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -62.98 -49.59 74.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.43 ' HA ' ' CD ' ' A' ' 30' ' ' LYS . 5.2 m-20 -66.31 -34.9 79.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.516 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -72.88 -40.21 65.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.693 ' HG2' HG21 ' A' ' 64' ' ' VAL . 28.5 mt-10 -65.35 -64.62 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.43 ' CD ' ' HA ' ' A' ' 27' ' ' ASP . 9.9 ptmm? -38.34 -33.64 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.428 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 23.8 mm-40 -73.28 -42.81 62.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.481 ' CD1' HG13 ' A' ' 64' ' ' VAL . 83.7 mt -71.1 -42.21 69.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.1 -20.47 65.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -40.67 146.61 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 t -63.09 -58.93 5.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.827 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -41.67 -41.02 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 79.3 m-20 -75.38 151.47 38.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -141.33 172.62 12.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.453 HG23 ' HA ' ' A' ' 60' ' ' ASP . 13.2 m -39.41 115.16 0.47 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.88 -36.47 2.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.37 130.06 4.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.862 0.363 . . . . 0.0 111.081 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.824 ' CE2' HG11 ' A' ' 92' ' ' VAL . 21.0 p90 -133.46 156.25 48.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.795 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.564 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.0 OUTLIER -162.84 129.51 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -100.46 148.43 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.1 ptt85 -143.82 169.89 16.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -90.78 130.6 36.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.1 t -49.36 127.26 14.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -74.99 -37.42 61.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.3 t -72.93 -53.55 11.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.417 ' OE1' ' C ' ' A' ' 51' ' ' LYS . 12.6 tm0? -103.04 158.63 16.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.424 ' C ' ' HD3' ' A' ' 51' ' ' LYS . 2.0 tmtp? -106.68 126.33 52.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.433 ' O ' ' CE1' ' A' ' 54' ' ' PHE . . . 113.39 -45.7 1.28 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.46 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -60.52 177.09 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.433 ' CE1' ' O ' ' A' ' 52' ' ' GLY . 83.8 m-85 -147.26 153.79 40.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 t -126.39 137.84 53.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.817 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.9 tp -105.9 122.6 46.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.972 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 t -114.0 115.63 27.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.698 HG22 ' HB3' ' A' ' 42' ' ' PHE . 19.9 t -121.16 149.93 24.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.174 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 63' ' ' VAL . 32.5 tp -96.95 133.18 41.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.876 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.7 t70 -135.02 74.82 1.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.816 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.416 ' HG3' ' C ' ' A' ' 60' ' ' ASP . 16.1 mt-10 75.06 54.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.39 -5.53 50.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.876 HG12 ' O ' ' A' ' 60' ' ' ASP . 6.6 p -97.34 156.82 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.371 . . . . 0.0 111.087 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.693 HG21 ' HG2' ' A' ' 29' ' ' GLU . 42.1 t -120.62 105.46 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.585 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -87.63 109.49 19.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -87.06 111.72 21.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.808 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.585 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 85.2 m-85 -106.6 134.93 48.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -87.38 121.48 29.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.829 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.5 mt -95.56 105.43 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -91.74 144.27 25.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.566 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 32.7 mtp180 -107.85 154.52 21.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.749 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.6 OUTLIER -102.92 -178.32 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.46 -11.65 17.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -118.85 -22.96 7.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -105.47 -124.17 5.32 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.454 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -147.52 -89.35 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.487 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 24.6 m-85 -126.86 142.26 51.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.917 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.749 ' CE1' HD11 ' A' ' 72' ' ' LEU . 5.6 p90 -153.24 129.18 10.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.0 tp -85.73 -24.45 26.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 81' ' ' ARG . 9.8 t -150.72 123.11 8.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 80' ' ' THR . 11.5 mmm180 -33.48 -45.32 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.411 ' HB3' ' NH1' ' A' ' 82' ' ' ARG . 4.6 mmm180 -37.77 -49.79 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 84' ' ' VAL . 41.6 tptt -129.32 149.04 51.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.513 HG22 ' CB ' ' A' ' 78' ' ' PHE . 67.9 t -136.53 146.31 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.557 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 21.8 m-85 -122.07 178.4 4.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 m -105.42 -50.43 3.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.4 p -126.95 155.62 42.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.157 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.816 HD12 HD11 ' A' ' 13' ' ' LEU . 88.0 mt -47.6 -25.35 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -63.71 -63.26 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -62.86 -18.57 63.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.557 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 1.5 t80 -67.49 -40.99 85.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.824 HG11 ' CE2' ' A' ' 42' ' ' PHE . 88.5 t -92.39 -34.89 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -59.76 -18.57 44.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -89.01 -64.61 1.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.445 ' CD1' HD12 ' A' ' 102' ' ' LEU . 36.9 m-85 -49.55 -34.83 18.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.932 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.62 HG23 ' O ' ' A' ' 92' ' ' VAL . 7.0 p -49.04 -18.38 0.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.164 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 20.1 p -94.4 -32.23 13.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.0 t -160.32 149.64 17.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.487 ' HB3' ' CA ' ' A' ' 105' ' ' LYS . 61.4 p -92.19 42.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.848 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 99' ' ' SER . 5.6 t70 -36.83 98.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.3 -46.7 3.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.445 HD12 ' CD1' ' A' ' 95' ' ' TYR . 2.4 mt -52.04 145.21 10.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.94 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 55.5 m -55.89 -37.51 68.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.544 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.2 p -142.81 160.69 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.544 ' N ' HG22 ' A' ' 104' ' ' VAL . 27.4 ttpp -90.79 135.12 33.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.09 112.45 3.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -87.75 -65.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -140.28 152.51 67.14 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.563 0.697 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 110' ' ' CYS . 53.8 Cg_endo -69.76 121.85 8.54 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 109' ' ' PRO . 35.3 t -34.73 150.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.9 mt -74.13 -176.51 2.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 113' ' ' ILE . 16.9 mttm -137.39 110.11 7.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.908 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 112' ' ' LYS . 9.5 mm -34.22 142.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -113.52 88.74 2.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 87.5 t -83.78 128.19 39.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.9 t -80.93 -45.77 16.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 80.44 148.5 5.48 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 138.43 37.74 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.252 . . . . 0.0 112.343 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 51.5 p -124.65 147.34 48.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.5 t -104.13 42.3 1.2 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.8 p -163.95 177.47 8.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 110.848 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.1 t -132.3 -61.29 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.58 160.85 10.48 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.54 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -93.61 150.24 20.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.851 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.8 t -111.76 126.54 55.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.03 113.76 0.33 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.443 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -171.04 119.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.797 0.332 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -43.75 -49.64 7.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.76 140.22 30.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -124.76 -67.8 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.9 p -50.1 -25.07 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.811 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.618 HD22 ' CD2' ' A' ' 19' ' ' PHE . 1.8 tt -51.45 -25.46 6.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -56.12 -26.13 48.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.72 -25.78 64.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.473 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 2.6 mm-40 -58.48 134.37 85.55 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.587 0.708 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -45.23 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.723 2.282 . . . . 0.0 112.291 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.519 ' CH2' ' HB3' ' A' ' 88' ' ' LEU . 25.7 p-90 -66.25 -16.6 64.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.618 ' CD2' HD22 ' A' ' 13' ' ' LEU . 6.9 t80 -88.3 121.26 30.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -117.82 24.64 10.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.53 -108.32 2.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.3 101.83 5.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.825 0.345 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.428 HD11 ' HB2' ' A' ' 28' ' ' ALA . 17.7 pt -131.6 163.15 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.26 157.69 18.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.47 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 9.3 ptt180 -50.38 -35.35 27.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.47 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -61.86 -44.07 97.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.2 -37.79 78.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.428 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -69.11 -40.68 78.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 32' ' ' LEU . 27.9 mt-10 -60.86 -64.84 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -39.77 -32.6 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -74.23 -38.86 63.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.725 ' CD1' HG13 ' A' ' 64' ' ' VAL . 95.7 mt -74.4 -44.86 50.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.26 -14.52 39.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.925 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.955 ' CD2' HD21 ' A' ' 111' ' ' LEU . 4.1 t80 -45.18 158.24 0.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 36' ' ' GLU . 30.9 t -74.18 -69.39 0.45 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.878 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 35' ' ' SER . 8.0 mm-40 -35.75 -38.88 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.493 ' CG ' HD23 ' A' ' 111' ' ' LEU . 94.1 m-20 -78.13 140.89 39.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -130.31 175.63 8.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.444 HG23 ' HA ' ' A' ' 60' ' ' ASP . 89.6 m -39.81 114.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.211 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.31 -36.4 2.14 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -40.9 118.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 111.151 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.828 ' HB3' HG22 ' A' ' 58' ' ' VAL . 46.3 p90 -130.38 141.03 50.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.932 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.426 ' O ' HD12 ' A' ' 43' ' ' LEU . 3.4 pp -151.61 131.97 13.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.4 mp -100.37 135.83 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.3 ptt85 -128.64 158.75 37.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -92.26 127.41 37.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.5 t -54.25 103.36 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -51.98 -22.82 4.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.813 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.1 t -82.5 -55.0 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.437 ' CG ' ' OD1' ' A' ' 53' ' ' ASP . 10.4 tp60 -111.91 127.38 55.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.36 152.01 42.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.478 ' O ' ' CE2' ' A' ' 54' ' ' PHE . . . 85.51 -45.26 3.47 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.522 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.437 ' OD1' ' CG ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -58.66 149.85 24.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.869 0.366 . . . . 0.0 110.809 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.478 ' CE2' ' O ' ' A' ' 52' ' ' GLY . 96.1 m-85 -132.97 162.24 32.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.8 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -141.62 122.04 14.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.834 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.9 tp -94.15 120.14 33.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.434 ' OG ' HD11 ' A' ' 32' ' ' LEU . 24.8 p -114.4 113.24 24.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.828 HG22 ' HB3' ' A' ' 42' ' ' PHE . 37.9 t -115.22 149.56 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.091 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.405 HD11 ' HA2' ' A' ' 62' ' ' GLY . 26.8 tp -95.75 132.32 41.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.913 ' O ' HG12 ' A' ' 63' ' ' VAL . 2.6 t70 -135.04 78.92 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 73.92 49.52 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.405 ' HA2' HD11 ' A' ' 59' ' ' LEU . . . 80.95 -6.35 62.85 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.441 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.913 HG12 ' O ' ' A' ' 60' ' ' ASP . 5.3 p -97.95 147.23 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 111.069 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.725 HG13 ' CD1' ' A' ' 32' ' ' LEU . 21.6 t -109.81 108.49 25.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.587 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -89.26 109.31 20.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -85.01 110.31 18.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.587 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 87.3 m-85 -106.67 113.44 26.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -67.86 130.21 42.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.3 mt -100.04 101.12 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.187 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 10.9 mtt85 -87.58 134.67 33.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.419 ' NH1' ' OD2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -104.48 149.07 25.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.707 HD11 ' CE2' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -98.66 -176.79 3.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.93 -19.11 13.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -108.87 -21.91 12.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.15 -118.07 4.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -153.29 -102.2 0.21 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -109.79 148.76 30.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.898 0.38 . . . . 0.0 110.842 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.707 ' CE2' HD11 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -160.1 131.7 6.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.532 HD11 ' CB ' ' A' ' 67' ' ' TYR . 6.2 tp -89.12 -27.67 20.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.518 HG23 ' H ' ' A' ' 82' ' ' ARG . 10.9 t -143.84 160.69 40.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -80.06 37.91 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.518 ' H ' HG23 ' A' ' 80' ' ' THR . 2.0 mmp_? -126.11 -19.61 4.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.577 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 17.2 mmmt -154.09 143.65 21.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.5 t -133.98 138.82 49.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.567 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 47.2 m-85 -120.13 178.8 4.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.2 m -99.03 -54.14 3.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.9 p -124.79 158.95 32.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.106 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.566 ' HB2' HD11 ' A' ' 13' ' ' LEU . 52.8 mt -48.75 -23.79 1.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.403 ' OD1' ' ND2' ' A' ' 93' ' ' ASN . 2.2 t-20 -64.7 -65.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -59.62 -19.31 48.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.579 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 0.8 OUTLIER -69.99 -39.64 75.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 96' ' ' THR . 94.3 t -92.58 -36.92 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.197 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.403 ' ND2' ' OD1' ' A' ' 89' ' ' ASN . 95.3 m-20 -58.51 -13.42 5.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.577 ' CE2' ' HE2' ' A' ' 83' ' ' LYS . 42.2 t80 -96.26 -69.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.435 ' O ' ' N ' ' A' ' 97' ' ' THR . 15.5 m-85 -44.98 -44.35 9.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 92' ' ' VAL . 20.0 p -37.85 -30.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 95' ' ' TYR . 17.8 p -80.48 -47.21 14.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.5 t -143.27 149.45 37.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.456 ' HB3' ' CA ' ' A' ' 105' ' ' LYS . 6.3 p -98.43 33.6 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -40.6 101.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 99.87 -47.67 1.29 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.506 HD21 ' CD2' ' A' ' 79' ' ' LEU . 5.1 mt -63.8 151.72 41.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 11.4 t -62.87 -37.56 87.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.594 HG13 HG11 ' A' ' 58' ' ' VAL . 1.6 p -139.29 157.05 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.468 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 10.6 ttmt -88.65 141.49 28.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.555 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 19.6 mt -68.18 102.68 1.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -80.54 -64.62 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -141.72 149.13 52.45 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.611 0.719 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 110' ' ' CYS . 54.3 Cg_endo -69.79 130.85 20.02 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.725 2.283 . . . . 0.0 112.302 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 109' ' ' PRO . 6.2 t -37.65 147.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.955 HD21 ' CD2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -81.19 155.17 26.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.922 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.458 ' N ' HD12 ' A' ' 111' ' ' LEU . 22.3 mttt -104.63 138.99 40.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.462 HD13 HD11 ' A' ' 111' ' ' LEU . 12.4 mm -97.04 140.58 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -128.5 131.74 48.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.406 HG23 ' N ' ' A' ' 116' ' ' SER . 35.5 m -116.38 -39.8 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.406 ' N ' HG23 ' A' ' 115' ' ' VAL . 33.5 t -97.96 109.53 22.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -140.66 -161.0 8.52 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 2.15 3.81 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.734 2.289 . . . . 0.0 112.342 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 95.7 p 46.47 53.56 9.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.2 t -94.13 96.79 9.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.502 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 t -50.61 -49.08 57.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.863 0.364 . . . . 0.0 110.898 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.0 t -75.3 -58.73 3.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.59 -116.65 2.44 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.568 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -140.33 121.67 14.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.351 . . . . 0.0 110.857 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 m -141.64 148.69 39.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.78 155.54 23.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 9' ' ' GLU . . . -72.81 91.0 1.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.706 0.289 . . . . 0.0 111.086 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 8' ' ' ALA . 1.1 pt-20 36.23 45.47 0.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -103.39 111.1 23.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.2 mtt180 -132.07 -46.06 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.795 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.6 p -66.77 -32.19 73.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.838 HD21 ' HB2' ' A' ' 88' ' ' LEU . 4.0 mt -50.27 -26.74 5.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -52.33 -25.88 10.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.14 -27.81 42.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.078 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.436 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 6.9 mm-40 -62.87 128.05 91.47 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.64 0.734 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -43.3 2.8 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.636 2.224 . . . . 0.0 112.363 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.436 ' CZ2' ' HG3' ' A' ' 16' ' ' GLU . 20.3 p-90 -65.64 -13.72 59.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -85.86 119.55 26.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.64 ' O ' HG23 ' A' ' 23' ' ' ILE . 32.9 m-85 -119.42 50.08 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 20' ' ' PHE . . . 34.69 -122.91 0.49 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.464 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.91 101.99 8.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.721 0.296 . . . . 0.0 111.116 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.762 HD11 ' HB2' ' A' ' 28' ' ' ALA . 9.2 pt -127.75 177.36 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.7 mtmm -102.33 154.72 18.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 8.2 ptt180 -48.32 -34.92 11.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.461 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -64.01 -45.54 88.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -67.6 -36.2 80.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.762 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -73.86 -40.48 63.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.638 ' HG2' HG21 ' A' ' 64' ' ' VAL . 9.8 mt-10 -58.97 -66.06 0.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -40.31 -34.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.61 ' OE1' HD13 ' A' ' 113' ' ' ILE . 7.7 mm100 -71.96 -37.69 69.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.613 HD12 HG13 ' A' ' 64' ' ' VAL . 17.0 mt -75.7 -46.34 31.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.529 HD11 ' O ' ' A' ' 62' ' ' GLY . 4.2 mm? -61.82 -14.08 29.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.869 ' CD2' HD21 ' A' ' 111' ' ' LEU . 4.4 t80 -41.02 156.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.4 t -72.04 -62.49 1.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.483 ' HB2' ' CD2' ' A' ' 111' ' ' LEU . 61.0 mt-10 -43.46 -33.11 1.01 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.846 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.478 ' OD1' HD23 ' A' ' 111' ' ' LEU . 77.1 m-20 -86.48 143.67 27.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -136.4 179.5 6.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.619 HG23 ' HA ' ' A' ' 60' ' ' ASP . 60.5 m -39.35 117.74 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.18 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.27 -35.11 3.04 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.446 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.27 118.89 2.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.907 0.384 . . . . 0.0 111.074 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.743 ' HB3' HG22 ' A' ' 58' ' ' VAL . 27.4 p90 -121.79 160.61 24.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.604 HD21 ' HB1' ' A' ' 28' ' ' ALA . 0.7 OUTLIER -166.29 130.95 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -101.29 140.44 20.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.414 ' NH2' ' ND1' ' A' ' 66' ' ' HIS . 14.1 ptt-85 -142.02 152.11 43.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.2 141.0 49.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 48' ' ' GLU . 4.5 t -77.44 86.4 3.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 47' ' ' SER . 40.7 tt0 -36.38 -44.1 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.9 t -54.34 -50.76 66.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.853 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -120.96 122.61 40.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -71.61 130.03 40.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.02 -40.68 2.46 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -64.91 171.99 3.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -150.91 146.36 26.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.3 m -123.73 132.61 53.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.503 ' HB2' HD11 ' A' ' 69' ' ' ILE . 9.1 tp -99.32 107.67 20.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.977 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -96.09 120.87 37.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.743 HG22 ' HB3' ' A' ' 42' ' ' PHE . 20.1 t -125.64 150.93 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.196 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.408 HD11 ' HA2' ' A' ' 62' ' ' GLY . 19.3 tp -101.45 133.58 45.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.957 ' O ' HG12 ' A' ' 63' ' ' VAL . 0.9 OUTLIER -135.05 79.76 1.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.767 179.873 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 72.92 36.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.529 ' O ' HD11 ' A' ' 33' ' ' LEU . . . 96.79 -12.68 65.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.492 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.957 HG12 ' O ' ' A' ' 60' ' ' ASP . 8.6 p -92.3 141.82 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 0.0 111.097 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.638 HG21 ' HG2' ' A' ' 29' ' ' GLU . 42.5 t -106.72 105.79 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.476 ' HE3' HG11 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -92.26 106.26 18.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.414 ' ND1' ' NH2' ' A' ' 45' ' ' ARG . 26.9 m-70 -83.66 115.73 22.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.787 ' HB3' HD11 ' A' ' 79' ' ' LEU . 98.2 m-85 -106.49 109.74 21.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.481 ' NE ' ' HE ' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -64.95 117.11 7.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.942 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.503 HD11 ' HB2' ' A' ' 56' ' ' LEU . 14.7 mt -92.53 123.58 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.481 ' HE ' ' NE ' ' A' ' 68' ' ' ARG . 20.4 mmt180 -100.45 165.11 11.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.445 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 6.8 mtm-85 -127.17 150.02 49.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.635 ' CD2' ' CD1' ' A' ' 78' ' ' PHE . 2.6 mm? -89.06 -174.86 4.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.04 -36.54 64.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -67.05 -30.31 70.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 116.28 29.1 2.41 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.524 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -106.54 144.46 15.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.445 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 38.0 m-85 -92.14 143.22 26.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.837 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.635 ' CD1' ' CD2' ' A' ' 72' ' ' LEU . 13.6 p90 -154.07 140.14 18.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.787 HD11 ' HB3' ' A' ' 67' ' ' TYR . 13.4 tp -95.57 -20.21 19.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.507 ' CG2' ' HG2' ' A' ' 82' ' ' ARG . 8.9 t -143.66 140.26 29.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -59.13 -9.47 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.507 ' HG2' ' CG2' ' A' ' 80' ' ' THR . 17.6 ptt180 -104.06 20.68 17.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.54 ' HE3' ' CZ ' ' A' ' 94' ' ' TYR . 1.0 OUTLIER -177.17 110.89 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.597 HG13 ' HB3' ' A' ' 78' ' ' PHE . 87.0 t -121.37 149.38 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.08 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -124.35 -175.39 3.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.0 m -102.13 -56.57 2.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 77.0 p -125.95 162.8 24.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.838 ' HB2' HD21 ' A' ' 13' ' ' LEU . 93.1 mt -51.65 -24.06 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.448 ' O ' ' CG ' ' A' ' 93' ' ' ASN . 3.6 t-20 -64.74 -65.2 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.406 ' HA ' ' ND2' ' A' ' 93' ' ' ASN . 26.2 mt-10 -60.45 -15.74 29.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.567 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.1 t80 -69.47 -38.79 77.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.665 HG11 ' CE2' ' A' ' 42' ' ' PHE . 88.6 t -92.7 -36.97 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 89' ' ' ASN . 3.3 m-20 -55.09 -26.2 36.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.54 ' CZ ' ' HE3' ' A' ' 83' ' ' LYS . 26.8 t80 -85.7 -63.42 1.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -53.69 -20.79 5.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 92' ' ' VAL . 1.4 p -65.46 -11.23 41.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.072 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.8 p -96.75 -30.91 12.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.2 t -161.79 161.46 29.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.185 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 101' ' ' GLY . 83.2 p -106.3 45.59 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -38.19 92.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.92 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 86.77 -35.23 3.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.45 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.58 HD21 ' CD2' ' A' ' 79' ' ' LEU . 6.4 mt -59.83 131.55 51.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.3 t -40.69 -43.31 1.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.558 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.6 p -141.73 161.13 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.558 ' N ' HG22 ' A' ' 104' ' ' VAL . 4.3 ttpm? -92.71 139.67 30.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.408 ' CD2' HG21 ' A' ' 58' ' ' VAL . 22.6 mt -68.41 115.49 7.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -93.53 -72.43 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -132.58 152.36 79.83 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.551 0.691 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 143.67 51.8 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.724 2.283 . . . . 0.0 112.358 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 37.9 t -54.45 128.91 33.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.869 HD21 ' CD2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -61.24 159.72 11.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.605 ' N ' HD12 ' A' ' 111' ' ' LEU . 29.4 mttt -110.18 111.36 22.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.767 ' O ' HG13 ' A' ' 115' ' ' VAL . 4.6 mp -66.89 143.41 15.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -50.42 97.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.767 HG13 ' O ' ' A' ' 113' ' ' ILE . 29.8 m -112.03 -34.41 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.1 t -165.9 142.27 5.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.79 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -83.12 149.8 26.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 98.02 0.66 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.753 2.302 . . . . 0.0 112.332 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 60.7 m -79.93 108.87 13.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.759 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 35.3 t -157.05 159.37 37.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.764 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.528 -179.94 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 m -146.59 127.35 14.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.382 . . . . 0.0 110.861 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.0 p -54.33 -44.26 71.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.44 150.6 9.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.489 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -124.42 -61.64 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.814 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.7 t 64.2 42.57 5.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.13 106.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -116.59 153.88 31.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.731 0.301 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -92.74 -59.43 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.52 127.39 32.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 mmm-85 -122.98 -50.38 1.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.4 p -67.64 -25.49 65.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.567 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.5 tt -48.76 -24.58 1.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -58.8 -35.24 72.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.65 -28.84 68.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -53.22 130.8 51.5 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 -47.38 0.93 Allowed 'Trans proline' 0 N--CA 1.466 -0.126 0 C-N-CA 122.728 2.286 . . . . 0.0 112.355 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.496 ' CH2' ' HB3' ' A' ' 88' ' ' LEU . 21.6 p-90 -65.59 -10.5 35.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.548 ' CD2' HD22 ' A' ' 13' ' ' LEU . 6.3 t80 -91.95 123.96 35.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -121.85 24.9 9.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.75 -120.34 21.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.43 104.75 11.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.815 0.34 . . . . 0.0 111.154 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.579 HD11 ' HB2' ' A' ' 28' ' ' ALA . 20.2 pt -132.32 172.87 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 mtmm -101.49 155.33 18.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.442 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 11.5 ptt180 -48.37 -32.61 7.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.442 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -65.91 -42.66 89.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -71.37 -40.23 70.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.579 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -66.97 -39.79 87.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.835 ' HG2' HG21 ' A' ' 64' ' ' VAL . 17.4 mt-10 -60.29 -65.88 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -42.11 -27.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.806 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.415 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 14.3 mm-40 -81.81 -35.9 28.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' GLU . 25.3 mt -77.25 -47.26 20.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 32.2 mt -59.8 -19.53 51.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 1.036 ' CD2' HD21 ' A' ' 111' ' ' LEU . 5.8 t80 -35.48 145.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' GLU . 3.0 t -59.76 -68.37 0.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.912 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' SER . 73.7 mt-10 -36.2 -42.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 80.4 m-20 -68.53 152.29 45.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.535 ' C ' HD23 ' A' ' 59' ' ' LEU . 21.7 mm-40 -141.57 177.37 8.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.2 m -45.79 108.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.28 -29.33 2.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.2 117.01 1.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 111.11 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.742 ' CE2' HG11 ' A' ' 92' ' ' VAL . 15.1 p90 -121.18 155.78 33.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.494 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.2 pp -164.12 127.26 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.2 mp -99.6 143.67 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.5 ptt85 -138.2 166.8 23.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.482 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 17.1 mt-10 -84.92 136.64 33.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.0 m -66.99 86.71 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.823 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -41.52 -56.06 2.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 78.5 p -47.88 -45.83 30.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -132.2 109.17 9.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.7 tptt -61.05 152.15 28.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.12 -44.08 1.68 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.52 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -78.17 173.93 11.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.482 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 80.5 m-85 -144.85 164.16 31.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.7 t -137.54 130.21 29.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.518 ' HB2' HD11 ' A' ' 69' ' ' ILE . 14.5 tp -98.76 117.97 34.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.0 m -110.36 116.89 32.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.786 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.606 HG22 ' HB3' ' A' ' 42' ' ' PHE . 52.9 t -118.88 151.75 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 63' ' ' VAL . 28.8 tp -96.51 130.93 43.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.887 ' O ' HG12 ' A' ' 63' ' ' VAL . 0.6 OUTLIER -132.61 82.32 2.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.826 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 70.09 48.37 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.49 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 83.77 -10.4 59.99 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.448 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.887 HG12 ' O ' ' A' ' 60' ' ' ASP . 4.5 p -90.51 166.39 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.814 0.34 . . . . 0.0 111.129 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.835 HG21 ' HG2' ' A' ' 29' ' ' GLU . 36.1 t -124.86 103.79 12.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.539 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -87.52 105.52 17.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -84.58 113.52 21.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.697 ' HB3' HD11 ' A' ' 79' ' ' LEU . 86.6 m-85 -106.55 122.78 47.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.97 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.677 ' O ' HD12 ' A' ' 79' ' ' LEU . 3.7 mmm180 -72.85 129.24 37.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.518 HD11 ' HB2' ' A' ' 56' ' ' LEU . 45.2 mt -108.82 106.04 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.457 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 2.0 mpt_? -93.31 155.84 17.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.583 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 15.1 mtp-105 -116.98 150.5 38.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.472 HD11 ' CE1' ' A' ' 78' ' ' PHE . 1.0 OUTLIER -97.05 -174.95 3.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -105.76 -8.23 17.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -121.07 -41.44 2.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.18 -114.98 1.02 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -154.6 -95.81 0.12 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.548 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.583 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 38.5 m-85 -116.68 147.23 42.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 0.0 110.879 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.472 ' CE1' HD11 ' A' ' 72' ' ' LEU . 4.9 p90 -155.46 134.21 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.697 HD11 ' HB3' ' A' ' 67' ' ' TYR . 16.3 tp -95.53 -19.63 19.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.445 ' CG2' ' HB3' ' A' ' 83' ' ' LYS . 5.3 t -143.64 135.47 26.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.186 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -53.66 -23.73 12.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.422 ' NH2' ' HA3' ' A' ' 101' ' ' GLY . 5.7 ptt180 -86.58 14.07 7.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.561 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 33.9 tptt -161.95 156.67 22.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 83' ' ' LYS . 84.5 t -160.79 144.91 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.121 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.459 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 38.7 m-85 -127.44 176.85 7.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 66.4 m -98.46 -46.72 5.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 89' ' ' ASN . 68.2 p -139.73 153.63 47.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.496 ' HB3' ' CH2' ' A' ' 18' ' ' TRP . 84.3 mt -40.43 -25.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.98 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 87' ' ' THR . 1.8 t-20 -61.23 -69.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -57.67 -22.47 46.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.535 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.8 t80 -63.61 -40.54 97.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.742 HG11 ' CE2' ' A' ' 42' ' ' PHE . 90.8 t -92.36 -34.5 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.9 -14.85 56.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.561 ' CE2' ' HE2' ' A' ' 83' ' ' LYS . 47.6 t80 -89.78 -69.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.537 ' CD1' HD12 ' A' ' 102' ' ' LEU . 31.7 m-85 -47.05 -40.78 15.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 92' ' ' VAL . 4.6 p -40.0 -27.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 95' ' ' TYR . 7.5 p -83.36 -40.38 19.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 95' ' ' TYR . 10.0 t -154.26 159.41 41.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.6 p -101.43 34.95 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 99' ' ' SER . 72.9 m-20 -34.99 93.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 96.3 -45.18 1.93 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.55 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.537 HD12 ' CD1' ' A' ' 95' ' ' TYR . 4.6 mt -59.61 144.82 46.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.775 0.322 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.3 t -56.38 -37.48 70.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.502 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.2 p -142.75 158.16 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.502 ' N ' HG22 ' A' ' 104' ' ' VAL . 30.4 ttpt -90.55 142.37 27.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.3 mt -70.6 110.01 5.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -89.01 -64.74 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -137.26 152.43 73.43 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.626 0.727 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 152.76 69.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.722 2.281 . . . . 0.0 112.315 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 46.5 t -62.39 127.49 31.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 1.036 HD21 ' CD2' ' A' ' 34' ' ' TYR . 1.2 pp -61.79 166.41 4.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.59 ' N ' HD12 ' A' ' 111' ' ' LEU . 16.2 mttm -122.42 141.02 52.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.0 mm -83.65 139.19 18.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -87.08 106.61 17.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 96.8 t -118.14 -47.53 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.04 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.3 t -92.72 -46.43 7.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 170.58 -149.27 12.4 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.542 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 128.24 15.75 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.671 2.247 . . . . 0.0 112.315 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 58.5 m -82.89 -46.32 13.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.8 p -89.88 -53.91 4.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.824 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m -119.43 41.98 2.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 0.0 110.883 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 t -161.85 124.53 2.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.82 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.34 144.1 4.13 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -129.32 162.03 28.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.387 . . . . 0.0 110.818 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.8 t -166.73 117.2 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.72 102.91 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.523 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.49 174.14 11.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.739 0.304 . . . . 0.0 111.091 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 10' ' ' ASP . 4.1 tt0 49.54 42.91 23.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER 33.64 37.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 9' ' ' GLU . 21.8 mtt-85 -107.06 27.72 8.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.6 m -93.82 -26.41 16.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.467 ' CD1' HD12 ' A' ' 88' ' ' LEU . 6.0 mt -62.88 -31.99 73.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -52.76 -18.81 2.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.95 -30.21 21.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.427 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 72.8 mm-40 -55.88 133.03 73.26 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.657 0.741 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.47 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 53.5 Cg_endo -69.78 -41.59 4.13 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.73 2.286 . . . . 0.0 112.317 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.452 ' CE3' HD13 ' A' ' 44' ' ' ILE . 12.1 p-90 -69.29 -18.92 63.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -86.75 119.57 27.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.685 ' O ' HG23 ' A' ' 23' ' ' ILE . 23.5 m-85 -121.4 37.55 4.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 44.45 -136.24 5.92 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.458 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.05 104.74 16.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.744 0.307 . . . . 0.0 111.07 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.685 HG23 ' O ' ' A' ' 20' ' ' PHE . 7.9 pt -131.37 166.01 29.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.76 161.97 14.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.498 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -53.81 -28.99 38.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.498 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -66.35 -45.02 81.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.077 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.46 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 5.2 t70 -70.64 -37.67 73.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.617 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -72.74 -44.71 61.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.167 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -61.4 -56.07 24.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -52.69 -37.85 59.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.499 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 14.3 mm-40 -68.26 -34.9 77.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.614 HD11 ' HB3' ' A' ' 57' ' ' SER . 35.1 mt -76.2 -54.77 6.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.475 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 23.5 mt -53.82 -19.68 4.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.475 ' CE1' ' CD1' ' A' ' 113' ' ' ILE . 9.7 t80 -35.85 146.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 37' ' ' ASN . 2.4 m -61.88 -66.0 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.893 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -39.78 -28.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 87.9 m-20 -88.67 156.07 19.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.68 ' C ' HD23 ' A' ' 59' ' ' LEU . 20.9 pt20 -151.95 176.69 11.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 38' ' ' GLN . 23.4 m -36.69 116.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.05 -33.58 3.65 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.497 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.13 112.26 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.874 0.368 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.772 ' HB3' HG22 ' A' ' 58' ' ' VAL . 29.1 p90 -117.43 161.35 19.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 pp -170.35 129.04 0.86 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.452 HD13 ' CE3' ' A' ' 18' ' ' TRP . 5.2 mp -99.33 139.4 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.483 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 15.9 ptt-85 -138.0 158.48 44.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -72.96 133.97 44.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.6 m -60.91 104.09 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -39.01 156.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.6 p 45.54 36.77 2.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -170.94 131.19 0.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.5 tptt -108.92 124.98 51.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.7 -43.8 1.44 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -79.4 170.96 15.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.858 0.361 . . . . 0.0 110.84 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -146.0 172.4 13.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.813 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.7 p -144.77 125.32 14.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.893 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.409 ' HB2' HD11 ' A' ' 69' ' ' ILE . 18.0 tp -93.21 117.54 30.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.614 ' HB3' HD11 ' A' ' 32' ' ' LEU . 1.6 m -109.71 113.83 26.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.772 HG22 ' HB3' ' A' ' 42' ' ' PHE . 15.3 t -116.3 154.05 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.162 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.68 HD23 ' C ' ' A' ' 38' ' ' GLN . 25.2 tp -99.88 132.75 45.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.954 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.0 OUTLIER -135.04 84.74 2.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.748 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 67.96 41.37 2.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.475 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 91.59 -14.45 63.96 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.532 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.954 HG12 ' O ' ' A' ' 60' ' ' ASP . 6.0 p -88.69 160.01 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 111.181 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.419 HG13 HD12 ' A' ' 32' ' ' LEU . 59.1 t -122.03 107.52 20.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -90.31 107.64 19.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.891 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -83.4 113.91 21.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.778 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 83.7 m-85 -110.83 114.69 28.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.5 mmm-85 -64.79 132.33 49.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.409 HD11 ' HB2' ' A' ' 56' ' ' LEU . 64.7 mt -105.18 96.21 4.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.21 154.95 28.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.575 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 35.3 mtp180 -121.07 142.78 49.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.483 HD11 ' CE1' ' A' ' 78' ' ' PHE . 1.0 OUTLIER -91.62 -175.53 4.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -108.46 -14.33 14.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -109.93 -34.27 6.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -101.15 -118.04 4.28 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -146.5 -98.6 0.23 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 22.4 m-85 -114.6 152.64 31.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.379 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.483 ' CE1' HD11 ' A' ' 72' ' ' LEU . 3.5 p90 -158.98 132.31 7.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.445 HD11 ' HB3' ' A' ' 67' ' ' TYR . 8.9 tp -90.44 -27.94 18.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.42 HG23 ' H ' ' A' ' 82' ' ' ARG . 14.0 t -144.71 153.0 41.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -64.51 -8.62 14.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.42 ' H ' HG23 ' A' ' 80' ' ' THR . 19.6 mmm180 -98.06 3.09 49.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.472 ' HD3' ' CZ ' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -154.96 141.02 18.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.955 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 74.0 t -149.72 142.73 17.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.563 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 25.4 m-85 -134.11 170.67 15.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.85 -41.57 7.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.4 p -128.37 158.67 37.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.467 HD12 ' CD1' ' A' ' 13' ' ' LEU . 65.3 mt -55.37 -32.46 62.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.951 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -60.35 -54.51 44.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -68.37 -13.75 62.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.57 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 0.9 OUTLIER -77.35 -37.7 51.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.656 HG11 ' CE2' ' A' ' 42' ' ' PHE . 92.3 t -92.72 -35.56 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -58.88 -22.34 59.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.442 ' CE1' ' HD2' ' A' ' 83' ' ' LYS . 6.8 t80 -88.61 -62.09 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -54.93 -15.47 2.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.989 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 92' ' ' VAL . 0.8 OUTLIER -69.99 -12.44 61.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.17 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.9 p -98.1 -31.45 12.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.117 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.2 t -159.29 152.09 21.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.487 ' HB3' ' N ' ' A' ' 105' ' ' LYS . 91.0 p -91.5 43.82 1.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 99' ' ' SER . 68.8 m-20 -34.58 94.89 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 84.5 -52.89 4.77 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.559 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.429 HD21 ' CD2' ' A' ' 79' ' ' LEU . 4.2 mt -41.48 149.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 40.7 t -60.35 -30.54 69.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.491 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 1.5 p -152.25 157.82 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.179 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.491 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 4.9 ttpm? -85.84 143.24 28.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.537 ' HB3' ' CD1' ' A' ' 42' ' ' PHE . 16.0 mt -73.78 106.33 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -80.43 -72.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.4 mtpt -134.17 151.62 76.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.491 0.662 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 142.74 48.42 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.639 2.226 . . . . 0.0 112.379 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 14.1 t -50.06 165.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.5 mt -101.93 179.37 4.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.31 139.7 53.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.475 ' CD1' ' CE1' ' A' ' 34' ' ' TYR . 4.2 mm -76.83 136.35 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -57.2 134.6 56.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 27.6 m -88.68 46.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.0 t 45.11 41.83 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -144.89 146.06 16.05 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -7.78 21.92 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.738 2.292 . . . . 0.0 112.295 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 61.7 p -46.26 107.23 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.8 p -135.63 134.03 38.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.451 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.535 HD21 ' HB2' ' A' ' 88' ' ' LEU . 5.4 mt . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.744 0.306 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -50.14 -30.89 12.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.13 -32.81 59.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.456 ' HG3' HD23 ' A' ' 13' ' ' LEU . 5.2 mm-40 -53.15 131.55 51.03 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.637 0.732 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.493 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 53.7 Cg_endo -69.69 -47.12 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.388 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.461 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 22.0 p-90 -65.76 -12.56 54.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.955 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -90.2 128.73 36.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.493 ' CE1' ' O ' ' A' ' 17' ' ' PRO . 3.1 m-85 -131.22 56.37 1.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 20' ' ' PHE . . . 33.99 -123.25 0.41 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.507 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.6 106.94 12.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 111.07 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.523 HD11 ' HB2' ' A' ' 28' ' ' ALA . 20.9 pt -129.92 175.16 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -102.22 157.87 16.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.482 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 2.4 ptm180 -47.06 -34.56 5.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.482 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -62.79 -52.81 61.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -61.63 -43.23 99.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.523 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -65.04 -43.41 92.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.541 ' HG2' HG21 ' A' ' 64' ' ' VAL . 9.9 mt-10 -57.95 -65.79 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -38.21 -33.88 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -73.27 -41.74 63.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.659 ' CD1' HG13 ' A' ' 64' ' ' VAL . 95.2 mt -73.41 -50.52 21.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.67 -16.7 6.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -44.21 166.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 36' ' ' GLU . 34.7 t -81.96 -67.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.828 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' SER . 39.1 mt-10 -34.69 -38.81 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -80.67 140.5 35.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -130.55 176.61 8.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.514 HG23 ' HA ' ' A' ' 60' ' ' ASP . 88.8 m -39.6 113.46 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.13 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.99 -35.2 2.58 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.86 119.62 2.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.87 0.367 . . . . 0.0 111.083 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.878 ' HB3' HG22 ' A' ' 58' ' ' VAL . 22.8 p90 -124.35 158.64 32.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.541 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.2 pp -163.13 126.71 2.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.401 HD13 ' CE3' ' A' ' 18' ' ' TRP . 4.7 mp -99.29 137.77 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.414 ' CD ' HG13 ' A' ' 23' ' ' ILE . 42.1 ptt85 -131.71 166.64 21.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.476 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 14.0 mt-10 -90.81 116.09 28.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' GLU . 38.5 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.415 ' HA ' ' NH1' ' A' ' 71' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.823 0.344 . . . . 0.0 110.885 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.476 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 90.1 m-85 -130.1 163.21 27.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.9 p -137.1 124.49 21.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.8 tp -93.14 104.12 16.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.7 m -96.27 109.78 22.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.878 HG22 ' HB3' ' A' ' 42' ' ' PHE . 39.5 t -112.93 147.77 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.514 HD11 ' HA2' ' A' ' 62' ' ' GLY . 19.3 tp -98.52 131.55 44.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.943 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.0 OUTLIER -135.07 81.07 1.87 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.789 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 74.3 40.64 0.41 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.514 ' HA2' HD11 ' A' ' 59' ' ' LEU . . . 89.13 -7.75 81.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.457 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.943 HG12 ' O ' ' A' ' 60' ' ' ASP . 9.8 p -96.25 141.37 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 111.168 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.659 HG13 ' CD1' ' A' ' 32' ' ' LEU . 29.8 t -106.15 109.57 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.534 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -91.03 109.95 21.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -84.03 111.11 18.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.852 ' HB3' HD11 ' A' ' 79' ' ' LEU . 94.5 m-85 -106.6 109.6 21.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.909 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -64.59 113.18 3.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.4 mt -87.46 101.17 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -83.43 159.74 21.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.581 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 6.5 mtm-85 -127.46 151.83 48.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.724 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.581 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 31.0 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.91 0.386 . . . . 0.0 110.812 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.724 ' CE1' HD11 ' A' ' 72' ' ' LEU . 7.6 p90 -159.05 129.53 5.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.852 HD11 ' HB3' ' A' ' 67' ' ' TYR . 12.4 tp -87.54 -21.8 25.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 80' ' ' THR . 8.7 t -147.37 118.74 7.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 80' ' ' THR . 2.7 tpt85 -34.4 -39.46 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -45.42 -50.67 12.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.848 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.564 ' HE3' ' CE1' ' A' ' 94' ' ' TYR . 2.1 tppt? -123.47 150.95 43.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.962 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.526 HG22 ' CB ' ' A' ' 78' ' ' PHE . 74.8 t -141.26 144.71 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.144 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.489 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 34.2 m-85 -119.08 -175.05 2.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.0 m -107.72 -51.06 2.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.5 p -128.78 155.15 45.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.214 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.535 ' HB2' HD21 ' A' ' 13' ' ' LEU . 90.0 mt -45.83 -25.43 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -63.65 -65.76 0.64 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -61.07 -15.34 31.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.565 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.1 t80 -70.63 -40.39 73.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.737 HG11 ' CE2' ' A' ' 42' ' ' PHE . 87.9 t -92.45 -33.76 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -58.32 -25.93 62.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.564 ' CE1' ' HE3' ' A' ' 83' ' ' LYS . 67.2 t80 -82.85 -70.92 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.564 ' CD1' HD12 ' A' ' 102' ' ' LEU . 17.3 m-85 -42.33 -47.88 4.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 92' ' ' VAL . 3.8 p -33.98 -34.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 95' ' ' TYR . 29.3 p -74.81 -49.64 19.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' TYR . 7.9 t -143.88 158.48 43.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 101' ' ' GLY . 10.3 p -101.6 44.9 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.83 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -42.1 95.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.916 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 91.99 -45.73 2.67 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.521 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.564 HD12 ' CD1' ' A' ' 95' ' ' TYR . 2.9 mt -53.75 147.76 11.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.774 0.321 . . . . 0.0 110.897 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 83.0 m -58.92 -36.64 75.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.537 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.4 p -142.82 160.14 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.537 ' N ' HG22 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -90.5 133.36 35.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.7 mt -61.87 111.76 2.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -88.22 -69.27 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -138.32 152.38 71.3 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.554 0.692 . . . . 0.0 110.989 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 142.34 47.44 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.708 2.272 . . . . 0.0 112.357 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 12.3 t -54.0 165.69 0.45 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.1 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.88 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.8 tt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.751 0.31 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 4.7 pt20 -54.34 -30.35 51.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.458 ' N ' ' HG3' ' A' ' 14' ' ' GLN . . . -63.08 -33.89 76.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -52.35 132.71 43.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.662 0.744 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -46.14 1.3 Allowed 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.467 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 22.7 p-90 -63.69 -13.77 46.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.961 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.489 ' CD2' HD22 ' A' ' 13' ' ' LEU . 6.3 t80 -89.14 124.03 33.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.461 ' O ' HG23 ' A' ' 23' ' ' ILE . 19.2 m-85 -122.15 27.79 7.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.15 -117.37 10.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.537 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -120.67 100.53 7.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.858 0.361 . . . . 0.0 111.066 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.765 HD11 ' HB2' ' A' ' 28' ' ' ALA . 17.4 pt -127.78 169.31 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.34 153.33 17.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -47.08 -29.85 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.59 -42.47 82.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.19 -38.78 75.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.765 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -72.98 -46.0 54.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.093 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.608 ' HG2' HG11 ' A' ' 64' ' ' VAL . 17.0 mt-10 -58.59 -38.15 77.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -63.45 -41.79 98.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.42 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 12.2 mm-40 -69.9 -33.21 71.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.1 mt -74.34 -53.16 10.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 26.0 mt -59.81 -15.02 17.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -40.63 158.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.0 t -74.5 -65.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.822 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -38.86 -33.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 84.2 m-20 -81.95 145.98 30.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' THR . 17.8 mt-30 -133.42 170.77 14.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.555 HG23 ' HA ' ' A' ' 60' ' ' ASP . 84.1 m -36.45 116.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.15 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.17 -37.15 2.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -42.3 121.07 1.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.792 0.33 . . . . 0.0 111.089 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.742 ' CE2' HG11 ' A' ' 92' ' ' VAL . 17.3 p90 -126.51 158.89 34.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.674 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.3 pp -166.54 130.94 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.2 mp -101.36 140.11 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -135.97 154.01 51.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -76.03 134.45 40.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.757 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.1 t70 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.84 0.353 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -148.5 166.29 28.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.5 p -141.65 123.75 15.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.791 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.432 ' HB2' HD11 ' A' ' 69' ' ' ILE . 5.7 tp -93.79 110.13 21.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.968 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.9 m -101.79 117.36 34.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.729 HG22 ' HB3' ' A' ' 42' ' ' PHE . 21.2 t -119.04 157.84 20.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.164 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.5 ' N ' ' CG1' ' A' ' 58' ' ' VAL . 13.9 tp -106.49 132.61 52.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.958 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.7 t70 -134.95 86.53 2.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 69.08 33.75 3.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.499 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 97.6 -13.51 64.03 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.958 HG12 ' O ' ' A' ' 60' ' ' ASP . 9.8 p -90.48 151.16 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.371 . . . . 0.0 111.129 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.608 HG11 ' HG2' ' A' ' 29' ' ' GLU . 87.4 t -112.92 109.69 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -92.0 109.27 20.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -83.93 113.26 20.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.672 ' HB3' HD11 ' A' ' 79' ' ' LEU . 89.7 m-85 -106.57 114.3 28.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -65.08 120.54 12.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.432 HD11 ' HB2' ' A' ' 56' ' ' LEU . 61.8 mt -96.11 97.03 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.2 mtt-85 -84.36 151.99 24.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.574 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 35.7 mtp180 -117.85 144.99 44.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.736 HD11 ' CE2' ' A' ' 78' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.574 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 30.5 m-85 . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.861 0.363 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.736 ' CE2' HD11 ' A' ' 72' ' ' LEU . 2.4 p90 -156.54 137.28 13.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.672 HD11 ' HB3' ' A' ' 67' ' ' TYR . 8.6 tp -97.47 -12.96 22.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.466 ' O ' ' C ' ' A' ' 81' ' ' ARG . 9.1 t -166.61 125.56 1.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.487 ' HD3' ' CE1' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -33.41 -45.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 81' ' ' ARG . 53.3 mtp85 -35.87 -49.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.83 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.493 ' HE2' ' CD2' ' A' ' 94' ' ' TYR . 47.1 tptt -133.53 148.74 51.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.491 HG22 ' CB ' ' A' ' 78' ' ' PHE . 57.9 t -138.7 141.69 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.574 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 8.6 m-85 -120.43 176.25 5.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.1 m -104.55 -47.31 4.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.812 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 69.4 p -127.45 149.8 49.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.467 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 84.4 mt -43.06 -24.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -64.1 -63.44 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -62.78 -12.37 23.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.574 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 1.8 t80 -74.19 -40.28 62.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.742 HG11 ' CE2' ' A' ' 42' ' ' PHE . 96.0 t -92.65 -39.81 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.099 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -57.56 -12.85 3.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.493 ' CD2' ' HE2' ' A' ' 83' ' ' LYS . 53.1 t80 -95.02 -66.91 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.499 ' CE1' HD12 ' A' ' 102' ' ' LEU . 26.2 m-85 -51.24 -18.29 0.9 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.958 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.51 -8.12 17.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.204 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.418 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 11.1 p -105.56 -27.77 11.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.6 t -164.35 152.76 12.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 51.3 p -98.4 44.52 1.03 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -40.11 99.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.12 -39.28 3.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.523 HD23 ' CE1' ' A' ' 67' ' ' TYR . 2.7 mt -61.9 145.47 52.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.807 0.337 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 36.8 t -56.65 -38.27 71.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.552 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.3 p -141.66 160.78 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.552 ' N ' HG22 ' A' ' 104' ' ' VAL . 25.9 ttpt -93.72 129.84 39.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.453 ' CD2' HG21 ' A' ' 58' ' ' VAL . 24.5 mt -56.59 107.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -82.33 -71.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -135.86 152.81 76.51 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.563 0.697 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 135.88 31.45 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.692 2.261 . . . . 0.0 112.355 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.4 t -47.91 144.02 3.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 14.1 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.839 HD11 HD12 ' A' ' 88' ' ' LEU . 2.0 tt . . . . . 0 C--O 1.229 0.024 0 CA-C-O 120.852 0.358 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 16.5 pt20 -54.58 -34.59 62.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.429 ' N ' ' HG3' ' A' ' 14' ' ' GLN . . . -60.98 -31.89 71.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.064 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -50.5 131.04 26.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.667 0.746 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -42.68 3.15 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.496 ' CH2' ' HB3' ' A' ' 88' ' ' LEU . 17.2 p-90 -69.85 -10.17 57.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.509 ' CD2' HD22 ' A' ' 13' ' ' LEU . 8.4 t80 -92.66 115.24 27.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.407 ' O ' HG23 ' A' ' 23' ' ' ILE . 14.0 m-85 -111.01 28.38 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.73 -118.32 13.53 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.94 102.51 8.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.732 0.301 . . . . 0.0 111.013 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.498 HD11 ' HB2' ' A' ' 28' ' ' ALA . 20.2 pt -130.22 170.21 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.083 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -96.7 163.95 12.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -54.64 -34.18 61.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.02 -44.36 96.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -71.08 -38.68 72.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.498 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -68.84 -37.94 79.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.69 ' HG2' HG21 ' A' ' 64' ' ' VAL . 23.3 mt-10 -68.09 -60.76 2.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 31' ' ' GLN . 10.7 ptpt -45.16 -32.63 1.91 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.407 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 18.0 mm-40 -73.84 -39.1 64.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.528 ' CD1' HG13 ' A' ' 64' ' ' VAL . 89.3 mt -73.34 -49.94 24.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.595 HD11 ' O ' ' A' ' 62' ' ' GLY . 4.2 mm? -55.35 -23.32 23.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 1.002 ' CD2' HD21 ' A' ' 111' ' ' LEU . 5.7 t80 -36.07 151.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 37' ' ' ASN . 7.5 t -67.02 -64.34 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.86 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -39.74 -28.78 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 35' ' ' SER . 88.8 m-20 -90.31 141.79 28.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 39' ' ' THR . 28.6 mt-30 -136.22 173.74 11.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 38' ' ' GLN . 85.5 m -35.01 111.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.19 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.98 -33.3 2.73 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.51 121.06 3.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 111.113 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.739 ' HB3' HG22 ' A' ' 58' ' ' VAL . 25.8 p90 -127.8 151.7 48.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.668 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.3 pp -159.51 130.78 6.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 mp -102.66 140.25 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.5 ptt85 -134.19 169.5 17.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 47' ' ' SER . 14.9 mt-10 -93.8 119.57 32.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 46' ' ' GLU . 12.8 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.861 0.362 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -133.53 147.7 51.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 t -126.09 129.18 48.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 tp -95.78 115.88 28.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.2 m -106.34 114.53 28.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.739 HG22 ' HB3' ' A' ' 42' ' ' PHE . 28.0 t -117.5 147.87 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.507 HD11 ' HA2' ' A' ' 62' ' ' GLY . 29.4 tp -96.8 131.19 43.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.953 ' O ' HG12 ' A' ' 63' ' ' VAL . 5.1 t70 -135.02 84.49 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 71.44 35.57 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.595 ' O ' HD11 ' A' ' 33' ' ' LEU . . . 94.84 -11.39 69.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.422 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.953 HG12 ' O ' ' A' ' 60' ' ' ASP . 9.1 p -92.99 149.01 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 111.114 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.69 HG21 ' HG2' ' A' ' 29' ' ' GLU . 22.7 t -111.62 108.99 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.587 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -90.85 110.3 21.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -84.71 110.72 18.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.587 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 91.1 m-85 -106.49 122.31 46.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.694 ' O ' HD12 ' A' ' 79' ' ' LEU . 1.0 OUTLIER -70.25 134.87 48.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.831 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 63.1 mt -107.95 93.8 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.058 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.575 ' O ' ' CD2' ' A' ' 78' ' ' PHE . 97.9 mtt180 -85.95 133.66 33.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.602 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 1.0 OUTLIER -108.09 150.37 27.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.52 HD11 ' CE2' ' A' ' 78' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.602 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 41.4 m-85 . . . . . 0 C--O 1.233 0.226 0 CA-C-O 120.809 0.337 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.575 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 2.9 p90 -173.25 129.27 0.46 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.966 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.694 HD12 ' O ' ' A' ' 68' ' ' ARG . 11.5 tp -89.19 -21.47 23.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 81' ' ' ARG . 7.9 t -152.37 126.15 8.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 80' ' ' THR . 16.2 mmm-85 -36.94 -38.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -45.16 -50.17 11.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.456 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 50.2 tptt -124.38 149.87 46.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.5 HG13 ' HB3' ' A' ' 78' ' ' PHE . 57.4 t -140.34 137.94 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.065 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.571 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 14.9 m-85 -116.45 -175.44 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.6 m -106.77 -45.71 4.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 67.5 p -134.8 165.59 24.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.839 HD12 HD11 ' A' ' 13' ' ' LEU . 96.4 mt -52.49 -25.88 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.975 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -63.57 -68.87 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -58.14 -16.89 15.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.571 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 1.6 t80 -68.68 -40.86 79.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.652 HG11 ' CE2' ' A' ' 42' ' ' PHE . 87.9 t -92.63 -41.53 12.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.47 ' ND2' ' C ' ' A' ' 93' ' ' ASN . 0.1 OUTLIER -54.01 -17.63 2.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.504 ' O ' HG23 ' A' ' 97' ' ' THR . 53.4 t80 -90.61 -66.97 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.406 ' CD1' HD12 ' A' ' 102' ' ' LEU . 28.3 m-85 -52.01 -24.85 7.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.922 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.92 -11.79 2.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 94' ' ' TYR . 2.0 p -101.1 -34.71 9.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.6 t -157.57 149.23 21.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.5 p -89.84 36.78 0.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 99' ' ' SER . 21.4 t70 -35.69 95.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 92.53 -40.18 2.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.463 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 99' ' ' SER . 2.7 mt -64.83 144.24 57.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.835 0.35 . . . . 0.0 110.859 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 2.3 t -54.33 -39.31 66.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.502 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.3 p -140.1 158.17 25.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.502 ' N ' HG22 ' A' ' 104' ' ' VAL . 19.9 ttpt -90.76 137.39 32.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.424 ' HB3' ' CD1' ' A' ' 42' ' ' PHE . 16.1 mt -65.77 116.84 7.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -94.19 -65.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -137.85 151.58 70.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.655 0.741 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 141.77 45.84 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.306 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 5.7 t -53.05 136.01 36.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 1.002 HD21 ' CD2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.997 HD11 HD12 ' A' ' 88' ' ' LEU . 1.8 tt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.734 0.302 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -52.3 -33.64 43.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.94 -33.57 73.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.415 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 58.8 mm-40 -55.84 131.77 72.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.693 0.759 . . . . 0.0 110.818 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -43.42 2.67 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.679 2.253 . . . . 0.0 112.333 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.501 ' CH2' ' HB3' ' A' ' 88' ' ' LEU . 22.8 p-90 -65.63 -6.9 12.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.617 ' CG ' HD22 ' A' ' 13' ' ' LEU . 8.6 t80 -97.5 124.66 41.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.505 ' O ' HG23 ' A' ' 23' ' ' ILE . 3.3 m-85 -125.94 32.04 5.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 56.56 -133.08 51.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.22 101.41 10.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 111.046 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.585 HD11 ' HB2' ' A' ' 28' ' ' ALA . 18.3 pt -127.56 170.74 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.115 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -99.54 176.24 5.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -64.93 -31.05 72.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.72 -43.13 80.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -72.66 -37.04 68.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.585 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -73.51 -45.09 55.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.437 ' HG2' HG21 ' A' ' 64' ' ' VAL . 9.4 mt-10 -60.79 -38.92 86.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -65.25 -30.73 71.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.493 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 26.3 mm-40 -79.74 -34.38 40.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.951 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.481 HD11 ' CB ' ' A' ' 57' ' ' SER . 91.7 mt -76.68 -51.59 11.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.5 mt -57.66 -17.78 16.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.97 ' CD2' HD21 ' A' ' 111' ' ' LEU . 6.4 t80 -39.77 144.48 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' GLU . 4.7 t -58.93 -67.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.853 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.439 ' HB2' ' CD2' ' A' ' 111' ' ' LEU . 36.1 mm-40 -35.8 -38.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 82.8 m-20 -76.67 143.61 39.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -132.24 171.5 13.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.626 HG23 ' HA ' ' A' ' 60' ' ' ASP . 7.4 m -37.25 115.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.67 -35.46 2.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.526 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -40.65 118.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.783 0.325 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.797 ' HB3' HG22 ' A' ' 58' ' ' VAL . 45.1 p90 -126.3 146.78 49.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.566 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.8 pp -153.07 131.07 11.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.416 HG21 HD22 ' A' ' 88' ' ' LEU . 3.8 mp -103.43 139.64 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.7 ptt85 -132.01 172.99 11.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.446 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 18.1 mt-10 -96.47 121.05 37.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 -179.834 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.85 0.357 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.446 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 78.5 m-85 -145.62 168.27 21.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 t -138.74 127.47 23.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.409 ' HB2' HD11 ' A' ' 69' ' ' ILE . 7.5 tp -98.26 114.83 27.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.823 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.481 ' CB ' HD11 ' A' ' 32' ' ' LEU . 15.6 m -107.91 117.23 33.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.78 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.797 HG22 ' HB3' ' A' ' 42' ' ' PHE . 25.4 t -119.71 144.56 27.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.627 HD11 ' HA2' ' A' ' 62' ' ' GLY . 41.2 tp -96.5 133.96 40.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.923 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.0 OUTLIER -135.1 79.88 1.81 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.789 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 73.51 31.54 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.627 ' HA2' HD11 ' A' ' 59' ' ' LEU . . . 101.44 -8.49 56.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.502 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.923 HG12 ' O ' ' A' ' 60' ' ' ASP . 11.5 p -98.24 131.47 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 111.185 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.437 HG21 ' HG2' ' A' ' 29' ' ' GLU . 62.0 t -99.55 109.34 24.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.496 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -92.09 114.35 26.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -88.64 113.1 23.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.681 ' CE1' HD23 ' A' ' 102' ' ' LEU . 83.0 m-85 -106.54 117.76 34.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.5 ttm-85 -67.7 125.41 26.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.81 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.415 HG12 HD13 ' A' ' 79' ' ' LEU . 61.0 mt -100.57 97.78 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.44 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 16.5 mtt85 -83.42 151.84 25.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.576 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 9.6 mtp-105 -116.59 153.3 32.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.734 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.576 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 46.3 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.862 0.363 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.734 ' CE1' HD11 ' A' ' 72' ' ' LEU . 7.3 p90 -153.41 132.73 12.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' A' ' 67' ' ' TYR . 11.7 tp -89.81 -18.72 25.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.0 t -155.54 131.27 9.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -44.45 -24.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -60.12 -44.09 95.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 84' ' ' VAL . 50.7 tptt -130.51 155.2 46.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.447 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 85.8 t -143.96 146.88 20.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.15 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.565 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 26.7 m-85 -125.08 177.42 6.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.3 m -104.54 -43.56 5.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 57.2 p -135.28 152.28 51.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.133 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.997 HD12 HD11 ' A' ' 13' ' ' LEU . 84.5 mt -43.16 -27.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.81 -64.26 1.01 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -61.66 -21.94 64.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.565 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 4.0 t80 -64.22 -40.06 95.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.696 HG11 ' CE2' ' A' ' 42' ' ' PHE . 85.0 t -92.59 -39.97 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.493 ' ND2' ' C ' ' A' ' 93' ' ' ASN . 0.1 OUTLIER -57.44 -12.2 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -93.72 -68.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.498 ' O ' ' N ' ' A' ' 98' ' ' THR . 30.3 m-85 -45.51 -42.01 10.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.899 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 95' ' ' TYR . 1.5 p -37.42 -33.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.147 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.2 p -79.37 -40.51 30.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.635 HG23 ' OD2' ' A' ' 100' ' ' ASP . 13.7 t -151.7 154.06 35.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.4 p -73.49 -27.79 61.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.635 ' OD2' HG23 ' A' ' 98' ' ' THR . 8.6 m-20 58.36 26.02 13.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.823 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 114.53 -20.25 15.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.453 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.681 HD23 ' CE1' ' A' ' 67' ' ' TYR . 2.5 mt -61.14 135.25 57.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.783 0.325 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 102' ' ' LEU . 86.7 m -33.39 -41.38 0.08 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.428 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 0.9 OUTLIER -144.65 152.69 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.428 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 27.7 ttpt -87.25 129.16 35.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.418 HD12 ' HB2' ' A' ' 95' ' ' TYR . 24.0 mt -54.92 117.1 3.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.401 ' C ' ' HG2' ' A' ' 108' ' ' LYS . 13.3 mm-40 -96.39 -55.44 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.403 ' C ' ' CE1' ' A' ' 42' ' ' PHE . 9.6 mmtp -149.76 152.74 35.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.583 0.706 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 154.02 68.41 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 15.2 t -65.14 164.83 12.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.97 HD21 ' CD2' ' A' ' 34' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.578 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.7 tt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.786 0.327 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 4.9 pt20 -59.69 -30.9 69.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.43 ' N ' ' HG3' ' A' ' 14' ' ' GLN . . . -61.64 -32.02 72.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -51.41 130.77 34.17 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.68 0.752 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.428 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 53.0 Cg_endo -69.83 -44.08 2.24 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.485 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 21.5 p-90 -69.72 -11.42 60.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.481 ' CD2' HD22 ' A' ' 13' ' ' LEU . 13.3 t80 -89.79 111.19 22.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.703 ' O ' HG23 ' A' ' 23' ' ' ILE . 5.6 m-85 -114.04 41.66 2.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 37.8 -143.87 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.533 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.61 106.96 18.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.713 HD11 ' HB2' ' A' ' 28' ' ' ALA . 19.4 pt -134.26 171.71 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -100.52 153.79 19.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -46.36 -30.76 2.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.16 -44.97 86.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -70.88 -39.88 72.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.713 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -69.94 -41.43 74.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.566 ' HG2' HG21 ' A' ' 64' ' ' VAL . 20.6 mt-10 -60.81 -68.0 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 29' ' ' GLU . 14.5 mtpp -37.12 -37.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -68.98 -42.83 76.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.922 HD12 HG13 ' A' ' 64' ' ' VAL . 78.1 mt -71.43 -42.37 68.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.549 HD21 ' CG2' ' A' ' 64' ' ' VAL . 4.5 mm? -65.15 -20.31 66.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -38.59 154.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.9 m -69.77 -59.11 3.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.837 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -43.99 -37.04 2.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -81.8 146.29 29.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.472 ' C ' HD23 ' A' ' 59' ' ' LEU . 18.6 mt-30 -139.34 175.15 9.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.569 HG23 ' HA ' ' A' ' 60' ' ' ASP . 67.3 m -36.27 116.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.19 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.53 -36.82 2.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.406 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -45.1 117.02 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.83 ' CE2' HG11 ' A' ' 92' ' ' VAL . 35.3 p90 -121.31 159.34 26.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.529 HD21 ' HB1' ' A' ' 28' ' ' ALA . 0.8 OUTLIER -163.96 133.07 3.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.0 mp -104.34 139.4 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.076 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 57' ' ' SER . 2.9 ptt-85 -136.82 160.65 38.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.568 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 1.9 mp0 -81.91 142.91 32.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.3 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.804 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 t70 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.815 0.34 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 91.4 m-85 -153.29 147.85 26.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.447 ' O ' ' NH1' ' A' ' 45' ' ' ARG . 2.1 t -119.56 132.66 55.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.683 ' HB2' HD11 ' A' ' 69' ' ' ILE . 9.6 tp -97.66 110.71 23.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -101.21 113.33 26.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.681 HG22 ' HB3' ' A' ' 42' ' ' PHE . 15.2 t -118.67 149.57 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.582 HD11 ' HA2' ' A' ' 62' ' ' GLY . 7.2 tp -102.38 134.51 45.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.968 ' O ' HG12 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -133.37 84.78 2.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.872 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 71.58 28.7 2.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.582 ' HA2' HD11 ' A' ' 59' ' ' LEU . . . 100.93 -3.28 55.71 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.497 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.968 HG12 ' O ' ' A' ' 60' ' ' ASP . 10.4 p -99.63 125.54 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.91 0.386 . . . . 0.0 111.095 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.922 HG13 HD12 ' A' ' 32' ' ' LEU . 17.0 t -88.76 98.11 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.51 ' O ' ' CE1' ' A' ' 67' ' ' TYR . 6.5 mttm -94.39 105.53 17.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.425 ' CD2' ' H ' ' A' ' 66' ' ' HIS . 2.4 m-70 -83.82 135.68 34.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.848 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.51 ' CE1' ' O ' ' A' ' 65' ' ' LYS . 47.2 m-85 -126.32 113.95 17.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.57 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -61.58 139.7 58.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.683 HD11 ' HB2' ' A' ' 56' ' ' LEU . 56.2 mt -118.56 101.8 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -79.44 165.22 23.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -125.72 154.72 42.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.544 HD21 ' CD1' ' A' ' 78' ' ' PHE . 2.9 mm? . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.85 0.357 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.637 ' HB3' HG13 ' A' ' 84' ' ' VAL . 6.4 p90 -152.05 128.87 10.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 68' ' ' ARG . 9.5 tp -85.46 -24.88 27.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.1 t -143.03 136.78 28.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.437 ' HD3' ' CE2' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -55.28 -13.01 1.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -70.19 -27.0 64.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -153.7 144.41 22.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.637 HG13 ' HB3' ' A' ' 78' ' ' PHE . 97.6 t -132.08 137.0 55.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.515 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 31.1 m-85 -108.71 -176.57 3.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.5 m -102.83 -52.84 2.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.0 p -132.13 160.67 35.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.485 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 83.5 mt -46.5 -25.84 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -61.58 -69.2 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.957 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -58.15 -21.96 49.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.515 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 2.9 t80 -63.82 -41.69 97.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.83 HG11 ' CE2' ' A' ' 42' ' ' PHE . 92.4 t -92.67 -37.52 8.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.429 ' ND2' ' C ' ' A' ' 93' ' ' ASN . 0.1 OUTLIER -58.64 -22.24 56.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -87.62 -63.74 1.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -48.42 -36.99 15.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -48.96 -30.01 5.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.5 p -86.08 -23.51 26.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.171 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.425 ' N ' ' HD2' ' A' ' 105' ' ' LYS . 9.1 t -161.98 139.88 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.5 p -67.89 -33.02 73.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 39.0 t70 57.33 43.39 23.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.93 -33.24 6.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 103' ' ' CYS . 4.1 mt -48.75 133.0 17.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 102' ' ' LEU . 4.5 m -34.42 -42.26 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.495 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.3 p -143.31 158.13 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.082 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.495 ' N ' HG22 ' A' ' 104' ' ' VAL . 19.7 ttpp -91.35 125.99 36.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.442 ' CD2' HG21 ' A' ' 58' ' ' VAL . 24.5 mt -52.66 116.66 2.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -93.22 -71.04 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -135.84 152.82 76.56 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.561 0.696 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 140.84 43.81 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.649 2.232 . . . . 0.0 112.363 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.5 t -52.38 167.59 0.13 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.4 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.427 HD21 ' HB2' ' A' ' 88' ' ' LEU . 3.4 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.751 0.31 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -51.61 -17.31 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.56 -28.34 23.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -62.22 131.28 93.54 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.628 0.728 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -46.17 1.33 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.8 p-90 -62.82 -16.65 59.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -85.91 110.67 19.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.617 ' O ' HG23 ' A' ' 23' ' ' ILE . 7.2 m-85 -110.04 40.91 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 47.42 -122.72 7.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.51 102.19 9.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.702 0.287 . . . . 0.0 111.094 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.617 HG23 ' O ' ' A' ' 20' ' ' PHE . 9.4 pt -128.72 163.05 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.152 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.3 168.14 14.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 4.2 ptm180 -58.59 -35.72 72.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.415 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -61.26 -43.72 98.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -70.5 -41.78 72.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.542 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -70.11 -33.68 72.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.617 ' HG2' HG11 ' A' ' 64' ' ' VAL . 20.9 mt-10 -70.37 -61.03 1.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -46.56 -40.03 12.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.822 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.487 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 16.1 mm-40 -66.44 -30.68 71.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.574 HD11 ' C ' ' A' ' 57' ' ' SER . 14.3 mt -80.52 -50.72 9.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.419 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 6.6 mt -59.8 -16.62 29.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.426 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 8.5 t80 -36.87 153.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.1 t -68.85 -66.77 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.829 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -40.58 -29.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.945 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 88.6 m-20 -85.63 148.63 25.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.651 ' C ' HD23 ' A' ' 59' ' ' LEU . 6.0 pt20 -138.14 -179.28 5.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.405 ' N ' ' HG3' ' A' ' 38' ' ' GLN . 97.6 m -46.61 113.18 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.02 -35.56 2.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.526 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 108' ' ' LYS . . . -47.33 115.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 0.0 111.105 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.799 ' CE2' HG11 ' A' ' 92' ' ' VAL . 39.5 p90 -119.72 158.38 26.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.503 ' C ' HD12 ' A' ' 43' ' ' LEU . 0.8 OUTLIER -163.94 132.37 3.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -104.05 148.23 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.064 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 57' ' ' SER . 6.7 ptt-85 -146.29 164.15 33.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.441 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 27.0 mt-10 -82.28 125.51 31.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.791 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.84 0.352 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.441 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 83.2 m-85 -139.52 163.6 32.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.414 ' O ' ' NH1' ' A' ' 45' ' ' ARG . 67.0 m -135.66 132.85 37.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.892 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.8 tp -99.6 118.81 36.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.574 ' C ' HD11 ' A' ' 32' ' ' LEU . 1.1 t -110.28 115.41 29.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.663 HG22 ' HB3' ' A' ' 42' ' ' PHE . 24.1 t -121.71 153.11 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.148 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.651 HD23 ' C ' ' A' ' 38' ' ' GLN . 11.6 tp -100.23 129.53 46.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.951 ' O ' HG12 ' A' ' 63' ' ' VAL . 4.0 t70 -134.43 85.16 2.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 71.05 50.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.419 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 77.68 -6.49 46.46 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.472 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.951 HG12 ' O ' ' A' ' 60' ' ' ASP . 2.8 p -98.0 156.93 3.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.811 0.339 . . . . 0.0 111.182 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.617 HG11 ' HG2' ' A' ' 29' ' ' GLU . 87.2 t -116.06 108.21 24.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -87.62 105.45 17.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.89 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -83.52 110.44 18.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.621 ' HB3' HD11 ' A' ' 79' ' ' LEU . 81.3 m-85 -107.26 122.37 46.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.929 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -73.07 126.71 30.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 41.4 mt -98.75 103.73 15.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.35 147.42 24.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.58 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 35.2 mtp180 -114.15 152.49 31.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.746 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.58 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 30.3 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.746 ' CE1' HD11 ' A' ' 72' ' ' LEU . 4.2 p90 -161.07 130.33 4.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.621 HD11 ' HB3' ' A' ' 67' ' ' TYR . 13.9 tp -91.98 -14.42 29.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.509 HG23 ' HG2' ' A' ' 82' ' ' ARG . 1.9 t -153.99 118.46 4.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 80' ' ' THR . 18.1 mmm180 -33.74 -44.9 0.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.529 ' CG ' ' N ' ' A' ' 83' ' ' LYS . 0.4 OUTLIER -42.76 -49.98 5.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.591 ' HE3' ' CE1' ' A' ' 94' ' ' TYR . 3.1 tppt? -118.91 155.32 31.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.447 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 64.3 t -147.53 138.63 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.549 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 23.2 m-85 -115.88 -177.61 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.8 m -110.3 -44.48 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.2 p -131.76 154.59 48.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.427 ' HB2' HD21 ' A' ' 13' ' ' LEU . 90.9 mt -47.21 -25.61 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -63.32 -61.8 2.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -64.67 -15.13 60.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.551 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.6 t80 -71.21 -40.52 71.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.799 HG11 ' CE2' ' A' ' 42' ' ' PHE . 84.1 t -92.0 -36.21 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -60.46 -13.42 13.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.591 ' CE1' ' HE3' ' A' ' 83' ' ' LYS . 32.6 t80 -93.29 -63.17 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.434 ' CD1' HD12 ' A' ' 102' ' ' LEU . 51.1 m-85 -54.28 -27.57 36.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.54 -14.25 1.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.191 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.406 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 2.2 p -101.95 -29.79 11.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.204 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.2 t -156.87 152.55 26.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.493 ' HB3' ' CA ' ' A' ' 105' ' ' LYS . 88.1 p -102.91 31.79 4.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.826 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 99' ' ' SER . 16.2 m-20 -34.15 102.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.5 -44.77 3.07 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.434 HD12 ' CD1' ' A' ' 95' ' ' TYR . 3.0 mt -60.05 149.76 31.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.804 0.335 . . . . 0.0 110.899 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 35.8 t -62.25 -36.74 82.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.495 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.3 p -141.65 158.33 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.495 ' N ' HG22 ' A' ' 104' ' ' VAL . 23.9 ttpt -92.62 128.81 38.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 16.8 mt -57.86 110.66 0.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.007 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -93.94 -53.58 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.43 ' C ' ' CE1' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -144.11 154.8 58.32 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.582 0.706 . . . . 0.0 110.815 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 164.9 32.82 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.732 2.288 . . . . 0.0 112.323 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.475 ' CB ' ' HB3' ' A' ' 43' ' ' LEU . 42.2 t -78.01 150.21 33.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.7 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.5 tt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.795 0.331 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -55.89 -26.61 48.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.92 -28.62 67.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -53.83 134.48 56.58 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.727 0.775 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -46.09 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.741 2.294 . . . . 0.0 112.292 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.439 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 21.3 p-90 -69.07 -14.91 63.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.956 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.448 ' CG ' HD22 ' A' ' 13' ' ' LEU . 14.3 t80 -87.53 115.12 24.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.434 ' O ' HG23 ' A' ' 23' ' ' ILE . 11.0 m-85 -113.68 29.65 7.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.09 -121.2 25.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.7 103.43 10.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.32 . . . . 0.0 111.186 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.506 HD11 ' HB2' ' A' ' 28' ' ' ALA . 17.5 pt -132.64 163.55 37.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -92.45 161.76 14.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -52.71 -34.46 52.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.99 -46.26 88.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.075 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -69.73 -40.75 76.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.506 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -65.04 -46.59 80.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.866 ' HG2' HG21 ' A' ' 64' ' ' VAL . 19.8 mt-10 -56.07 -59.79 4.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -38.94 -39.55 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -70.76 -37.14 73.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.507 HD12 HG13 ' A' ' 64' ' ' VAL . 59.7 mt -73.59 -51.32 17.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.435 HD11 ' O ' ' A' ' 62' ' ' GLY . 3.9 mm? -58.96 -18.5 34.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.776 ' CD2' HD21 ' A' ' 111' ' ' LEU . 3.7 t80 -36.27 152.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.4 t -72.94 -57.72 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -47.87 -31.48 5.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.436 ' OD1' HD23 ' A' ' 111' ' ' LEU . 88.4 m-20 -84.62 144.04 28.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -131.76 -179.44 5.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.2 m -44.54 114.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.78 -32.24 3.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.31 121.45 5.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.767 0.317 . . . . 0.0 111.052 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.811 ' HB3' HG22 ' A' ' 58' ' ' VAL . 35.9 p90 -127.18 161.34 28.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.595 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.5 pp -168.25 129.89 1.39 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.4 mp -100.01 149.07 6.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 ptt85 -142.73 160.98 39.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -79.55 125.43 29.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.4 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.795 -179.774 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 t70 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.777 0.322 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -152.74 156.91 40.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.789 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 m -129.65 123.99 32.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.824 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.5 tp -93.2 121.88 35.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.457 ' C ' HD11 ' A' ' 32' ' ' LEU . 16.8 m -114.06 109.5 18.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.811 HG22 ' HB3' ' A' ' 42' ' ' PHE . 46.9 t -113.24 154.64 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.45 HD11 ' HA2' ' A' ' 62' ' ' GLY . 22.1 tp -103.09 131.87 49.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.956 ' O ' HG12 ' A' ' 63' ' ' VAL . 2.1 t70 -134.78 81.82 1.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 71.14 42.27 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.45 ' HA2' HD11 ' A' ' 59' ' ' LEU . . . 89.2 -10.3 73.6 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.447 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.956 HG12 ' O ' ' A' ' 60' ' ' ASP . 6.4 p -94.07 150.9 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 111.096 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.866 HG21 ' HG2' ' A' ' 29' ' ' GLU . 55.0 t -113.14 109.95 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.586 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -90.9 107.89 19.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -83.44 110.28 18.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.822 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.595 ' HB3' HD11 ' A' ' 79' ' ' LEU . 83.1 m-85 -107.72 116.37 31.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -69.94 130.88 43.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.2 mt -103.3 99.7 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.465 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 27.6 mtp180 -83.32 152.44 25.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.461 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 8.6 mtp-105 -116.99 151.04 37.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.682 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.461 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 35.4 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.979 0.418 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.709 ' CB ' HG22 ' A' ' 84' ' ' VAL . 6.4 p90 -153.2 130.87 11.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.595 HD11 ' HB3' ' A' ' 67' ' ' TYR . 12.6 tp -87.44 -25.45 23.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.428 HG23 ' H ' ' A' ' 83' ' ' LYS . 5.5 t -145.77 129.4 17.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.7 tpt85 -46.0 -21.95 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -65.72 -39.75 91.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.596 ' HD2' ' CZ ' ' A' ' 85' ' ' PHE . 6.8 tmtm? -135.37 142.53 45.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.709 HG22 ' CB ' ' A' ' 78' ' ' PHE . 48.3 t -130.51 154.35 40.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.596 ' CZ ' ' HD2' ' A' ' 83' ' ' LYS . 39.2 m-85 -128.26 179.2 5.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.7 m -102.03 -50.23 3.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 89' ' ' ASN . 68.6 p -133.15 154.32 50.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.197 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.439 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 84.8 mt -42.72 -24.91 0.07 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 87' ' ' THR . 2.5 t-20 -62.59 -67.44 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.916 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -60.72 -14.58 21.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.53 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.9 t80 -71.41 -38.42 71.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.842 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.77 HG11 ' CE2' ' A' ' 42' ' ' PHE . 95.1 t -92.78 -37.59 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.124 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.474 ' ND2' ' C ' ' A' ' 93' ' ' ASN . 0.1 OUTLIER -60.67 -9.83 4.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.525 ' O ' HG23 ' A' ' 97' ' ' THR . 47.8 t80 -94.52 -69.19 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.596 ' CD1' HD12 ' A' ' 102' ' ' LEU . 44.1 m-85 -49.98 -27.13 4.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 92' ' ' VAL . 5.7 p -52.47 -18.51 1.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 94' ' ' TYR . 2.8 p -92.22 -40.16 11.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.7 t -153.12 161.02 42.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 101' ' ' GLY . 24.3 p -103.17 34.0 3.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 99' ' ' SER . 23.6 m-20 -37.12 93.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 97.1 -40.72 2.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.489 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.596 HD12 ' CD1' ' A' ' 95' ' ' TYR . 3.0 mt -66.15 146.21 54.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.347 . . . . 0.0 110.953 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 43.9 t -55.91 -38.84 70.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.507 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.3 p -141.09 158.79 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.507 ' N ' HG22 ' A' ' 104' ' ' VAL . 18.1 ttpt -91.89 130.52 37.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.2 mt -58.77 115.47 3.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -93.56 -62.72 1.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -143.53 152.51 56.83 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.597 0.713 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 142.91 49.2 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.701 2.267 . . . . 0.0 112.297 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.4 t -49.11 170.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.776 HD21 ' CD2' ' A' ' 34' ' ' TYR . 1.4 pp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.6 tt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.764 0.316 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -56.89 -33.18 66.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.74 -31.36 70.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -49.16 131.29 16.38 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.722 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -45.49 1.57 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.718 2.279 . . . . 0.0 112.256 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.429 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 18.9 p-90 -70.0 -10.08 57.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.967 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.517 ' CD2' HD22 ' A' ' 13' ' ' LEU . 12.7 t80 -92.31 115.55 28.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.601 ' O ' HG23 ' A' ' 23' ' ' ILE . 3.1 m-85 -115.11 40.96 2.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 46.05 -119.79 4.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.41 104.25 11.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 111.108 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.601 HG23 ' O ' ' A' ' 20' ' ' PHE . 18.9 pt -131.99 162.55 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.168 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -92.74 161.5 14.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.49 ' HB2' ' CE1' ' A' ' 66' ' ' HIS . 9.9 ptp180 -49.91 -34.4 20.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.49 -48.1 79.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 5.4 m-20 -65.13 -37.28 86.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.501 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -73.39 -38.86 65.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.513 ' HG2' HG21 ' A' ' 64' ' ' VAL . 11.9 mt-10 -62.93 -66.81 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -42.34 -32.76 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 15.7 mm-40 -73.49 -36.42 65.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.96 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.806 HD12 HG13 ' A' ' 64' ' ' VAL . 34.6 mt -76.73 -45.18 30.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.944 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.562 HD11 ' O ' ' A' ' 62' ' ' GLY . 4.0 mm? -63.59 -11.44 24.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -41.06 159.2 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.8 t -72.6 -59.46 2.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -49.78 -37.19 28.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -80.67 146.23 31.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.429 ' C ' HD23 ' A' ' 59' ' ' LEU . 1.3 pt20 -143.73 -177.54 5.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.4 m -38.95 115.39 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.75 -34.92 3.16 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.414 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.408 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -47.26 110.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 111.09 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.78 ' CE2' HG11 ' A' ' 92' ' ' VAL . 21.2 p90 -115.19 156.66 24.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.559 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.4 pp -166.78 131.1 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.406 HD13 ' CE3' ' A' ' 18' ' ' TRP . 3.7 mp -99.37 150.64 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 ptt85 -145.88 157.86 43.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.467 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 10.1 mt-10 -78.25 137.76 38.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.755 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.875 0.369 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.467 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 44.9 m-85 -138.69 164.5 29.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 t -134.69 130.28 36.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.7 tp -93.13 118.71 31.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.76 107.27 17.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.721 HG11 HG13 ' A' ' 104' ' ' VAL . 19.5 t -113.41 137.75 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.07 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.473 HD22 ' O ' ' A' ' 32' ' ' LEU . 25.0 tp -90.79 133.41 35.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.974 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.948 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.1 t70 -134.82 80.47 1.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 72.46 40.33 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.562 ' O ' HD11 ' A' ' 33' ' ' LEU . . . 92.3 -11.2 72.69 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.948 HG12 ' O ' ' A' ' 60' ' ' ASP . 9.7 p -92.5 140.39 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.842 0.353 . . . . 0.0 111.148 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.806 HG13 HD12 ' A' ' 32' ' ' LEU . 17.2 t -108.11 106.8 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.163 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.445 ' HE3' HG11 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -90.81 108.14 19.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.929 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.49 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 76.4 m-70 -83.74 111.63 19.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.644 ' HB3' HD11 ' A' ' 79' ' ' LEU . 70.8 m-85 -107.19 109.84 21.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.951 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.51 107.74 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.1 mt -74.03 98.52 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.432 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 11.0 mmm180 -73.4 154.09 40.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.582 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 12.8 mtp-105 -129.7 147.89 51.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.523 HD11 ' CE2' ' A' ' 78' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.582 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 48.6 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.523 ' CE2' HD11 ' A' ' 72' ' ' LEU . 2.5 p90 -161.99 129.28 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.644 HD11 ' HB3' ' A' ' 67' ' ' TYR . 11.2 tp -87.26 -21.75 25.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.8 t -147.65 149.9 33.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 20.4 mmm-85 -66.55 -4.8 9.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -99.0 12.45 35.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.456 ' HE2' ' CD2' ' A' ' 94' ' ' TYR . 16.7 tptt -167.54 155.46 9.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.454 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 97.2 t -158.1 143.98 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.415 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 26.0 m-85 -124.24 -174.95 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.9 m -108.28 -39.41 5.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 66.7 p -137.94 154.81 49.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.441 HD12 HD11 ' A' ' 13' ' ' LEU . 94.3 mt -48.91 -26.87 2.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -64.1 -62.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.501 ' HA ' ' ND2' ' A' ' 93' ' ' ASN . 10.0 mt-10 -62.13 -10.08 9.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.591 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 0.4 OUTLIER -80.57 -32.07 36.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.78 HG11 ' CE2' ' A' ' 42' ' ' PHE . 89.7 t -92.69 -33.9 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.501 ' ND2' ' HA ' ' A' ' 90' ' ' GLU . 22.7 p30 -66.39 -15.36 63.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.471 ' N ' ' OD1' ' A' ' 93' ' ' ASN . 13.3 t80 -87.74 -49.2 7.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -75.3 -4.05 36.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 92' ' ' VAL . 0.8 OUTLIER -76.12 -17.2 59.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 35.0 p -102.62 -21.15 14.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.5 t -164.98 149.95 9.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.162 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.0 p -87.54 -25.28 23.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.1 p30 43.74 48.72 6.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . 109.95 -48.14 0.97 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 103' ' ' CYS . 3.6 mt -37.66 133.2 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.752 0.311 . . . . 0.0 110.966 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.859 ' SG ' HG12 ' A' ' 104' ' ' VAL . 15.7 p -34.19 -39.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.859 HG12 ' SG ' ' A' ' 103' ' ' CYS . 2.4 p -150.89 159.91 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.534 ' N ' HG22 ' A' ' 104' ' ' VAL . 0.2 OUTLIER -90.15 128.83 36.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 21.5 mt -55.47 127.01 27.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -109.92 -67.51 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -136.86 151.12 71.74 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.54 0.686 . . . . 0.0 110.996 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 144.77 55.71 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.404 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 23.7 t -56.7 158.92 4.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.2 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 -179.93 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.7 tt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.745 0.307 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -58.62 -27.83 65.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.34 -28.12 65.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -49.1 133.82 15.59 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.636 0.732 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.402 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 54.1 Cg_endo -69.81 -42.25 3.52 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.7 2.267 . . . . 0.0 112.377 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.444 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 14.0 p-90 -73.05 -15.79 61.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.488 ' CD2' HD22 ' A' ' 13' ' ' LEU . 8.1 t80 -87.02 128.69 35.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.545 ' O ' HG23 ' A' ' 23' ' ' ILE . 11.5 m-85 -130.37 38.22 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 49.72 -123.76 14.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.4 103.62 10.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.78 0.324 . . . . 0.0 111.132 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.817 HD11 ' HB2' ' A' ' 28' ' ' ALA . 19.4 pt -127.32 173.34 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt -100.37 162.5 12.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.2 ptt-85 -53.05 -32.83 48.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.26 -46.66 69.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -67.92 -30.68 70.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.817 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -82.88 -36.25 25.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.599 ' HG2' HG21 ' A' ' 64' ' ' VAL . 27.7 mt-10 -69.04 -48.6 62.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 ptmm? -55.22 -43.61 74.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.425 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 6.0 mm100 -65.95 -32.65 74.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.8 mt -74.47 -55.75 5.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 10.1 mt -54.07 -20.17 6.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.923 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' A' ' 33' ' ' LEU . 9.8 t80 -35.05 152.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 36' ' ' GLU . 2.4 m -65.46 -71.39 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 35' ' ' SER . 35.6 mm-40 -34.16 -38.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 84.1 m-20 -78.56 142.7 37.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.465 ' C ' HD23 ' A' ' 59' ' ' LEU . 2.6 pm0 -136.16 177.64 7.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' GLN . 80.9 m -37.68 116.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.78 -36.76 2.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.11 113.53 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.846 ' CE2' HG11 ' A' ' 92' ' ' VAL . 18.0 p90 -120.4 156.08 32.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.42 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.3 pp -166.48 131.48 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 mp -100.63 143.64 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.18 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 ptt85 -139.42 157.38 45.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -83.15 140.01 32.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.444 ' HB3' ' CG ' ' A' ' 53' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.444 ' CG ' ' HB3' ' A' ' 47' ' ' SER . 2.8 p30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.813 0.34 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -152.18 153.98 34.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.1 m -133.43 125.8 29.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.801 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.442 HD23 HD21 ' A' ' 79' ' ' LEU . 10.4 tp -92.89 117.44 30.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.4 m -110.29 109.41 19.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.751 HG22 ' HB3' ' A' ' 42' ' ' PHE . 19.4 t -113.13 151.81 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.465 HD23 ' C ' ' A' ' 38' ' ' GLN . 25.2 tp -97.15 131.8 43.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.974 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.951 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.6 t70 -134.97 82.68 1.97 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.891 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 69.59 44.57 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.495 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 87.54 -11.19 66.78 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.485 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.951 HG12 ' O ' ' A' ' 60' ' ' ASP . 5.1 p -93.46 153.93 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 111.097 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.599 HG21 ' HG2' ' A' ' 29' ' ' GLU . 79.9 t -116.88 107.62 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.087 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -87.8 109.15 19.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -84.73 110.32 18.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 89.2 m-85 -106.43 114.84 29.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.1 tpp85 -67.62 120.51 14.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.471 HG12 HD13 ' A' ' 79' ' ' LEU . 58.8 mt -93.05 99.15 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.152 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 2.8 mmp_? -83.44 152.6 24.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.446 ' C ' HD13 ' A' ' 72' ' ' LEU . 6.8 mtp-105 -115.61 156.64 25.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.685 HD11 ' CD1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.44 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 42.8 m-85 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.685 ' CD1' HD11 ' A' ' 72' ' ' LEU . 7.4 p90 -151.98 131.7 13.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.471 HD13 HG12 ' A' ' 69' ' ' ILE . 12.1 tp -91.17 -15.27 29.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.476 HG23 ' H ' ' A' ' 83' ' ' LYS . 7.1 t -156.12 125.75 6.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -41.23 -27.48 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -59.14 -45.63 90.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.55 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 49.3 tptt -129.12 147.9 51.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.626 HG22 ' CB ' ' A' ' 78' ' ' PHE . 74.1 t -138.08 153.96 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.128 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.518 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 23.7 m-85 -131.42 -177.46 4.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 71.0 m -105.75 -52.16 2.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 52.9 p -123.6 160.55 26.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.192 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.444 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 59.6 mt -52.01 -26.97 11.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -62.72 -59.86 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.816 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.18 -15.32 62.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.3 t80 -71.79 -41.78 67.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.846 HG11 ' CE2' ' A' ' 42' ' ' PHE . 96.9 t -91.84 -35.47 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -59.95 -12.45 7.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.55 ' CE2' ' HE2' ' A' ' 83' ' ' LYS . 34.9 t80 -96.04 -58.5 2.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.943 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -61.82 -16.31 48.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 92' ' ' VAL . 3.2 p -66.56 -16.98 64.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.8 p -92.53 -33.75 14.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.159 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.9 t -155.75 170.54 21.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 79.1 p -111.8 49.25 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -49.61 96.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.11 -44.34 2.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.476 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.46 HD23 ' CZ ' ' A' ' 67' ' ' TYR . 3.0 mt -57.88 149.66 22.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.34 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 55.8 m -60.55 -37.49 81.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.525 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.3 p -141.01 159.64 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.525 ' N ' HG22 ' A' ' 104' ' ' VAL . 12.2 ttmt -90.25 131.08 36.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 21.6 mt -59.16 116.31 3.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -96.72 -68.65 0.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -137.01 151.22 71.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.549 0.69 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 144.8 55.64 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.723 2.282 . . . . 0.0 112.396 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 43.4 t -60.91 144.12 53.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.1 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.903 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.8 tt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.703 0.287 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 4.9 pt20 -57.17 -32.23 66.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.429 ' N ' ' HG3' ' A' ' 14' ' ' GLN . . . -61.33 -28.46 69.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -54.6 131.66 64.2 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.615 0.722 . . . . 0.0 110.942 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 -46.95 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.652 2.235 . . . . 0.0 112.329 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.463 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 13.9 p-90 -67.1 -8.39 30.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.442 ' CD2' HD22 ' A' ' 13' ' ' LEU . 9.7 t80 -93.11 112.87 24.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.577 ' O ' HG23 ' A' ' 23' ' ' ILE . 16.9 m-85 -114.18 30.77 7.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 49.83 -139.78 17.31 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.418 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.51 108.97 20.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.763 0.316 . . . . 0.0 111.094 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.747 HD11 ' HB2' ' A' ' 28' ' ' ALA . 16.8 pt -138.24 163.67 28.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -94.84 155.8 16.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -47.24 -31.28 3.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.29 -44.04 84.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -68.03 -43.67 78.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.747 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -68.77 -46.99 67.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.432 ' HA ' HG21 ' A' ' 64' ' ' VAL . 11.4 mt-10 -58.65 -35.05 71.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -67.38 -41.51 84.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.476 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 19.4 mm-40 -71.51 -32.58 68.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.441 HD22 ' O ' ' A' ' 41' ' ' ALA . 86.4 mt -76.9 -53.42 7.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 18.2 mt -58.38 -12.87 4.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -41.33 158.15 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.1 t -71.0 -60.6 2.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -46.03 -33.16 3.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 86.6 m-20 -83.72 149.79 26.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.456 ' C ' HD23 ' A' ' 59' ' ' LEU . 8.2 pt20 -146.8 -179.34 6.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 38' ' ' GLN . 85.9 m -35.98 117.36 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.138 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.64 -37.81 2.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.441 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -42.32 113.09 0.41 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.79 0.329 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.707 ' CB ' HG22 ' A' ' 58' ' ' VAL . 24.3 p90 -119.11 162.03 19.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.465 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.0 OUTLIER -171.02 126.83 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.0 mp -99.04 137.25 27.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.0 ptt85 -131.63 166.56 21.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.464 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 9.1 mt-10 -87.11 128.11 35.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.687 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.903 0.383 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.464 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 87.4 m-85 -146.68 147.53 31.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.0 m -122.31 126.7 48.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.628 ' HB2' HD11 ' A' ' 69' ' ' ILE . 6.4 tp -95.48 112.44 24.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.988 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.1 m -105.45 122.22 45.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.707 HG22 ' CB ' ' A' ' 42' ' ' PHE . 16.6 t -127.82 142.92 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.666 HD11 ' HA2' ' A' ' 62' ' ' GLY . 49.5 tp -89.97 135.98 33.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.974 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.489 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.1 t70 -134.94 77.27 1.67 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.814 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 74.98 25.03 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.666 ' HA2' HD11 ' A' ' 59' ' ' LEU . . . 110.79 -14.2 29.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.464 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 60' ' ' ASP . 3.0 p -99.65 130.22 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.118 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.432 HG21 ' HA ' ' A' ' 29' ' ' GLU . 70.8 t -94.23 110.85 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.597 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -87.33 108.08 18.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -83.48 112.18 19.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.597 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 88.0 m-85 -106.49 125.68 51.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.4 ttm-85 -72.85 123.74 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.628 HD11 ' HB2' ' A' ' 56' ' ' LEU . 56.9 mt -102.03 98.11 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.474 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 98.3 mtt180 -80.86 156.44 26.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.958 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.502 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 5.2 mtp-105 -120.38 148.94 43.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.611 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.949 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.502 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 32.8 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.915 0.388 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.611 ' CE1' HD11 ' A' ' 72' ' ' LEU . 7.7 p90 -156.79 130.32 8.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.484 HD11 ' HB3' ' A' ' 67' ' ' TYR . 12.1 tp -86.7 -24.21 25.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.5 ' CG2' ' HG2' ' A' ' 82' ' ' ARG . 10.0 t -145.77 143.4 29.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.533 ' HD3' ' CE2' ' A' ' 78' ' ' PHE . 18.0 mmt180 -59.55 -13.58 9.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.5 ' HG2' ' CG2' ' A' ' 80' ' ' THR . 3.1 ptp180 -86.12 -0.22 55.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.517 ' HE2' ' CZ ' ' A' ' 94' ' ' TYR . 15.0 mmmt -155.94 161.05 40.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 83' ' ' LYS . 92.7 t -161.0 137.15 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.517 ' CG ' ' HA ' ' A' ' 91' ' ' PHE . 24.0 m-85 -120.16 -177.03 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.1 m -104.42 -52.5 2.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 47.1 p -128.64 155.86 44.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.492 HD12 HD11 ' A' ' 13' ' ' LEU . 84.6 mt -45.18 -26.39 0.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -62.34 -68.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -56.94 -25.85 58.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.559 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.1 t80 -62.33 -38.2 88.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 70.6 t -92.46 -39.91 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.041 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -54.77 -25.32 27.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.517 ' CZ ' ' HE2' ' A' ' 83' ' ' LYS . 33.7 t80 -80.02 -60.26 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.43 ' O ' ' N ' ' A' ' 98' ' ' THR . 43.5 m-85 -54.85 -43.03 72.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.8 p -42.13 -25.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.12 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 95' ' ' TYR . 11.9 p -89.16 -37.44 15.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 95' ' ' TYR . 13.3 t -152.2 145.3 24.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 89.0 p -68.13 -31.83 71.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.828 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.3 t0 60.47 29.06 18.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 109.36 -28.18 11.33 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.548 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 103' ' ' CYS . 2.7 mt -49.88 135.19 20.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.339 . . . . 0.0 110.874 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 102' ' ' LEU . 42.4 t -33.89 -39.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.453 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 1.4 p -149.25 155.12 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.453 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 32.6 ttpt -87.73 132.16 34.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.479 ' CD2' HG21 ' A' ' 58' ' ' VAL . 26.7 mt -60.14 106.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.949 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.13 -70.79 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -135.22 152.33 76.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.531 0.682 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 151.89 69.2 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.703 2.269 . . . . 0.0 112.311 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 11.1 t -60.52 166.34 3.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 14.5 mt . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.966 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.486 HD23 ' HG3' ' A' ' 16' ' ' GLU . 6.3 mt . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.751 0.31 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -54.43 -21.2 9.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.48 -29.85 23.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.075 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.486 ' HG3' HD23 ' A' ' 13' ' ' LEU . 75.3 mm-40 -55.31 129.72 68.68 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.666 0.746 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -40.83 4.83 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 21.5 p-90 -69.25 -15.41 63.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -86.63 128.19 34.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.802 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.649 ' O ' HG23 ' A' ' 23' ' ' ILE . 5.9 m-85 -129.18 42.66 3.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 44.27 -123.36 4.95 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.03 100.87 8.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.709 0.29 . . . . 0.0 111.051 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.668 HD11 ' HB2' ' A' ' 28' ' ' ALA . 18.9 pt -129.25 162.85 35.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.108 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -92.14 154.62 18.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.947 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -47.16 -28.35 1.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.4 -47.42 67.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -68.96 -31.96 71.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.668 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -78.71 -41.63 30.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.053 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.565 ' HG2' HG21 ' A' ' 64' ' ' VAL . 13.8 mt-10 -59.62 -59.19 5.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -45.85 -33.04 2.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.447 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 19.3 mm-40 -73.87 -38.14 64.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.3 mt -74.98 -53.49 8.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 20.3 mt -55.87 -13.87 2.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -43.94 168.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 37' ' ' ASN . 95.6 p -82.54 -66.62 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.821 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -38.81 -26.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 35' ' ' SER . 92.0 m-20 -88.87 144.95 25.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.406 ' C ' HD23 ' A' ' 59' ' ' LEU . 9.8 pt20 -132.42 178.45 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.479 HG23 ' HA ' ' A' ' 60' ' ' ASP . 73.2 m -46.86 110.19 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.68 -33.52 2.4 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.455 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.89 120.19 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 111.092 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.828 ' CE2' HG11 ' A' ' 92' ' ' VAL . 39.0 p90 -125.16 151.23 46.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.615 HD21 ' HB1' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -155.98 134.6 11.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -104.65 148.65 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.07 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 57' ' ' SER . 2.5 ptt-85 -145.59 164.4 31.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.56 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 24.6 mt-10 -87.68 139.26 30.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.853 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.484 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 4.1 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.839 0.352 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 71.8 m-85 -154.98 158.26 38.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.451 ' O ' ' NH1' ' A' ' 45' ' ' ARG . 62.7 m -129.54 134.94 48.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.838 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 tp -101.94 107.5 18.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -97.77 116.37 29.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.642 HG22 ' HB3' ' A' ' 42' ' ' PHE . 23.1 t -121.3 151.58 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.116 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.487 HD11 ' HA2' ' A' ' 62' ' ' GLY . 16.9 tp -102.83 131.03 50.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.977 ' O ' HG12 ' A' ' 63' ' ' VAL . 3.6 t70 -134.96 86.89 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 68.57 34.35 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.5 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 97.28 -14.35 63.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.546 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.977 HG12 ' O ' ' A' ' 60' ' ' ASP . 9.8 p -90.01 152.77 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.924 0.392 . . . . 0.0 111.118 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.565 HG21 ' HG2' ' A' ' 29' ' ' GLU . 97.5 t -116.93 107.17 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.197 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.54 ' HE3' HG11 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -90.39 109.83 20.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -83.25 114.88 21.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.737 ' CE1' HD23 ' A' ' 102' ' ' LEU . 93.4 m-85 -106.46 119.09 38.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -68.69 115.28 7.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.434 HD12 ' HB3' ' A' ' 54' ' ' PHE . 44.8 mt -87.76 96.22 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.158 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 12.3 mmm-85 -73.46 156.11 38.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.583 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 12.0 mtp-105 -131.33 148.9 52.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.682 HD11 ' CD2' ' A' ' 78' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.583 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 28.3 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.828 0.347 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.682 ' CD2' HD11 ' A' ' 72' ' ' LEU . 2.9 p90 -160.56 129.17 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 67' ' ' TYR . 10.8 tp -87.11 -14.85 40.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.622 HG23 ' H ' ' A' ' 83' ' ' LYS . 9.6 t -154.98 125.55 6.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -42.45 -23.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 80' ' ' THR . 10.4 mmm180 -65.88 -45.24 82.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.622 ' H ' HG23 ' A' ' 80' ' ' THR . 56.8 tptt -123.18 149.77 44.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.556 HG22 ' CB ' ' A' ' 78' ' ' PHE . 73.0 t -141.53 148.99 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.081 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.435 ' CG ' ' HA ' ' A' ' 91' ' ' PHE . 15.1 m-85 -124.87 -177.02 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.9 m -106.19 -49.03 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.81 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 66.4 p -133.19 154.43 50.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.129 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.466 ' HB2' HD21 ' A' ' 13' ' ' LEU . 96.0 mt -44.24 -27.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.912 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.417 ' OD1' ' ND2' ' A' ' 93' ' ' ASN . 2.3 t-20 -60.41 -65.35 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -61.0 -22.55 64.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.463 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 4.4 t80 -62.92 -40.46 97.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.828 HG11 ' CE2' ' A' ' 42' ' ' PHE . 94.0 t -92.0 -39.28 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.417 ' ND2' ' OD1' ' A' ' 89' ' ' ASN . 79.4 m-20 -57.28 -17.77 13.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -87.0 -63.78 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.45 ' CD2' ' O ' ' A' ' 91' ' ' PHE . 47.2 m-85 -47.39 -42.97 23.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.8 p -42.01 -24.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.203 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.429 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 4.8 p -90.87 -36.27 14.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 95' ' ' TYR . 7.4 t -156.3 130.58 8.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.617 ' O ' HD12 ' A' ' 102' ' ' LEU . 40.1 p -49.11 -45.37 43.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.5 t70 70.45 48.32 0.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.0 2.49 86.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.737 HD23 ' CE1' ' A' ' 67' ' ' TYR . 3.4 mt -85.39 134.37 34.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 102' ' ' LEU . 35.8 t -34.03 -41.48 0.1 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.416 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 1.6 p -146.46 153.48 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.188 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.429 ' HD2' ' C ' ' A' ' 97' ' ' THR . 20.7 ttpt -87.53 126.91 35.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 18.5 mt -54.98 115.97 2.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -99.17 -55.01 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.551 ' C ' ' CE1' ' A' ' 42' ' ' PHE . 1.7 ptpt -142.33 154.94 64.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 166.95 25.94 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.743 2.295 . . . . 0.0 112.318 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.478 ' CB ' ' HB3' ' A' ' 43' ' ' LEU . 54.1 t -79.42 143.26 35.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 -179.961 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.481 HD11 HD12 ' A' ' 88' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.785 0.326 . . . . 0.0 110.953 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -51.57 -29.25 16.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.03 -32.0 73.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -54.5 131.24 63.27 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.6 0.714 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -46.71 1.15 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.641 2.227 . . . . 0.0 112.433 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.443 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 11.1 p-90 -66.02 -8.71 24.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.468 ' CG ' ' CD2' ' A' ' 13' ' ' LEU . 12.4 t80 -91.81 119.17 31.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -118.58 18.25 13.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.28 -125.41 10.65 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' A' ' 46' ' ' GLU . . . -118.12 101.66 8.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.76 0.315 . . . . 0.0 111.108 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.481 HD11 ' HB2' ' A' ' 28' ' ' ALA . 8.1 pt -128.93 165.64 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -88.96 152.5 21.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 3.4 ptm180 -46.9 -35.3 6.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.408 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -62.84 -44.35 96.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -67.69 -35.46 78.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.481 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -72.27 -48.17 44.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 32' ' ' LEU . 22.7 mt-10 -51.21 -62.36 1.66 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.2 mttt -43.41 -41.78 4.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -68.38 -34.18 75.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.974 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.745 HD12 HG13 ' A' ' 64' ' ' VAL . 8.9 mt -74.46 -56.77 4.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 34' ' ' TYR . 12.9 mt -55.16 -18.82 6.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.437 ' C ' ' O ' ' A' ' 33' ' ' LEU . 7.3 t80 -35.31 148.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.5 m -64.78 -67.23 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -39.33 -33.91 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -84.19 141.76 30.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -132.66 171.6 13.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.79 HG23 ' HA ' ' A' ' 60' ' ' ASP . 91.5 m -36.88 111.73 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.05 -33.9 2.33 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.436 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.3 120.22 2.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.364 . . . . 0.0 111.11 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.823 ' CE2' HG11 ' A' ' 92' ' ' VAL . 29.7 p90 -127.71 144.24 51.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.594 ' O ' HD12 ' A' ' 43' ' ' LEU . 2.3 pp -152.76 130.7 11.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.491 HG21 HD22 ' A' ' 88' ' ' LEU . 3.7 mp -102.14 136.8 32.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.434 ' NH2' ' HB3' ' A' ' 57' ' ' SER . 10.2 ptt-85 -134.28 166.33 23.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.449 ' HB2' ' HB2' ' A' ' 22' ' ' ALA . 29.8 mt-10 -86.36 136.46 33.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.784 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.879 0.371 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -138.98 169.73 17.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.2 m -137.24 131.94 33.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.479 ' CD2' HD22 ' A' ' 79' ' ' LEU . 10.7 tp -99.11 111.59 23.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.434 ' HB3' ' NH2' ' A' ' 45' ' ' ARG . 1.7 p -108.29 120.38 42.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.674 HG22 ' HB3' ' A' ' 42' ' ' PHE . 15.5 t -124.73 148.93 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.568 HD11 ' HA2' ' A' ' 62' ' ' GLY . 7.4 tp -99.37 136.41 39.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.79 ' HA ' HG23 ' A' ' 39' ' ' THR . 1.0 OUTLIER -134.81 79.33 1.79 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.834 179.85 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 74.82 25.9 1.41 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.568 ' HA2' HD11 ' A' ' 59' ' ' LEU . . . 108.05 -12.27 37.55 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.637 HG12 ' O ' ' A' ' 60' ' ' ASP . 5.4 p -96.58 127.34 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 111.101 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.745 HG13 HD12 ' A' ' 32' ' ' LEU . 83.1 t -94.54 109.48 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.166 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.588 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -87.56 111.04 20.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -83.75 110.54 18.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.845 ' HB3' HD11 ' A' ' 79' ' ' LEU . 92.6 m-85 -106.99 116.09 31.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.434 ' O ' HD12 ' A' ' 79' ' ' LEU . 16.8 tpp180 -70.77 126.76 30.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.6 mt -99.57 101.23 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.482 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 23.7 mtp180 -87.13 142.55 27.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.6 mtp-105 -106.23 155.36 19.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.723 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.752 ' CB ' HG22 ' A' ' 84' ' ' VAL . 4.4 p90 -151.69 129.38 11.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.845 HD11 ' HB3' ' A' ' 67' ' ' TYR . 14.6 tp -89.68 -22.8 22.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.51 HG23 ' H ' ' A' ' 83' ' ' LYS . 6.6 t -144.91 124.48 13.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 81' ' ' ARG . 5.2 mmm180 -41.52 -24.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.443 ' NH2' ' OD2' ' A' ' 100' ' ' ASP . 30.2 mtm180 -62.57 -44.66 95.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.563 ' HE2' ' CE1' ' A' ' 94' ' ' TYR . 37.8 tptt -128.32 145.18 51.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.752 HG22 ' CB ' ' A' ' 78' ' ' PHE . 42.0 t -135.09 157.5 40.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.07 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.528 ' CG ' ' HA ' ' A' ' 91' ' ' PHE . 14.9 m-85 -134.68 -174.83 3.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.0 m -113.29 -45.41 3.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 44.6 p -130.49 152.59 49.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.491 HD22 HG21 ' A' ' 44' ' ' ILE . 96.6 mt -45.05 -27.86 0.63 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -62.52 -65.93 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -60.29 -16.49 34.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.0 OUTLIER -70.58 -39.23 73.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.823 HG11 ' CE2' ' A' ' 42' ' ' PHE . 61.1 t -92.65 -33.94 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -56.46 -30.65 63.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.563 ' CE1' ' HE2' ' A' ' 83' ' ' LYS . 87.3 t80 -78.11 -66.49 0.84 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.455 ' O ' ' N ' ' A' ' 97' ' ' THR . 39.6 m-85 -48.89 -43.7 39.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.903 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.564 HG23 HG12 ' A' ' 92' ' ' VAL . 1.9 p -41.29 -24.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 95' ' ' TYR . 9.8 p -89.32 -38.15 14.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.166 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 95' ' ' TYR . 6.6 t -150.44 158.75 44.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 101' ' ' GLY . 6.3 p -103.18 39.9 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.866 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.443 ' OD2' ' NH2' ' A' ' 82' ' ' ARG . 4.2 t70 -39.38 96.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 92.16 -42.77 2.71 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.52 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.56 HD23 ' CZ ' ' A' ' 67' ' ' TYR . 2.7 mt -59.25 146.76 38.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 9.0 m -59.95 -37.25 79.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.549 HG13 HG11 ' A' ' 58' ' ' VAL . 2.0 p -141.52 158.39 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.492 ' N ' HG22 ' A' ' 104' ' ' VAL . 30.5 ttpt -88.72 136.97 32.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.951 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.556 ' CD2' HG21 ' A' ' 58' ' ' VAL . 18.9 mt -67.06 105.81 1.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -83.39 -66.62 0.87 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -138.05 152.71 72.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.666 0.746 . . . . 0.0 110.835 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 145.85 58.47 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.752 2.301 . . . . 0.0 112.359 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 50.2 t -49.71 157.0 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.934 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.659 HD22 ' CD2' ' A' ' 19' ' ' PHE . 1.7 tt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.852 0.358 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -52.01 -31.15 28.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.6 -29.4 70.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -54.48 127.6 58.55 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.629 0.728 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 -47.2 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.754 2.303 . . . . 0.0 112.3 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.502 ' CH2' ' HB3' ' A' ' 88' ' ' LEU . 13.0 p-90 -64.04 -18.75 64.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.968 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.659 ' CD2' HD22 ' A' ' 13' ' ' LEU . 7.9 t80 -83.72 110.23 18.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -106.12 25.6 10.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 56.27 -126.37 40.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.37 107.43 17.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.341 . . . . 0.0 111.086 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.968 HD11 ' HB2' ' A' ' 28' ' ' ALA . 8.6 pt -131.21 178.48 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -104.73 156.12 18.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.539 ' N ' HH21 ' A' ' 45' ' ' ARG . 10.0 ptp180 -47.82 -36.24 11.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.845 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.88 -49.11 69.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.4 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . 6.0 t0 -58.8 -39.69 81.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.968 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -75.78 -40.91 54.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -63.44 -43.96 95.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 31' ' ' GLN . 5.6 ptpp? -61.41 -33.04 73.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.479 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 19.1 mm-40 -73.41 -34.34 65.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.943 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.58 HD12 HG13 ' A' ' 64' ' ' VAL . 55.9 mt -77.34 -50.77 12.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 25.2 mt -61.24 -13.4 18.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -44.66 169.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 37' ' ' ASN . 91.6 p -86.5 -62.94 1.4 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.872 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -41.48 -24.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 86.9 m-20 -92.66 159.19 15.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.452 ' C ' HD23 ' A' ' 59' ' ' LEU . 8.0 mm100 -151.3 170.33 19.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.957 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 38' ' ' GLN . 96.5 m -34.16 116.89 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.55 -37.23 2.47 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.518 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.19 117.5 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.772 ' HB3' HG22 ' A' ' 58' ' ' VAL . 20.4 p90 -121.81 157.98 29.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.806 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.678 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.1 pp -163.67 131.81 3.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.4 mp -98.97 142.1 15.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.539 HH21 ' N ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -136.42 153.54 51.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -74.52 115.75 14.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.0 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.788 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -142.0 157.21 45.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -132.7 135.7 45.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.423 HD22 HD22 ' A' ' 79' ' ' LEU . 8.6 tp -102.17 125.11 48.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.2 m -116.32 112.86 22.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.791 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.772 HG22 ' HB3' ' A' ' 42' ' ' PHE . 13.0 t -118.35 137.38 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.452 HD23 ' C ' ' A' ' 38' ' ' GLN . 11.2 tp -84.72 132.88 34.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.972 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.7 t70 -135.0 83.93 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 69.92 42.91 0.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.501 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 88.91 -12.63 65.3 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.541 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.972 HG12 ' O ' ' A' ' 60' ' ' ASP . 5.5 p -92.04 153.63 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.888 0.375 . . . . 0.0 111.104 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.58 HG13 HD12 ' A' ' 32' ' ' LEU . 61.5 t -115.93 108.36 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.138 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.618 ' HE3' HG11 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -89.99 107.19 18.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -85.8 110.17 19.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 79.7 m-85 -107.31 116.18 31.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -68.37 124.16 22.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 64.2 mt -94.48 101.67 12.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 69.4 mtt-85 -84.87 140.85 30.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.561 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 9.6 mtp-105 -107.19 151.24 25.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.961 179.969 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.561 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 23.2 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.875 0.369 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -150.78 140.24 21.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.673 ' CD2' HD21 ' A' ' 102' ' ' LEU . 12.2 tp -93.97 -13.87 26.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.5 t -152.04 150.91 30.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 81' ' ' ARG . 4.3 mmm180 -74.79 47.0 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -134.99 -30.84 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.524 ' HE3' ' CZ ' ' A' ' 94' ' ' TYR . 1.0 OUTLIER -143.78 138.59 28.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 82.3 t -125.36 140.73 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -110.76 -176.04 2.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.0 m -105.31 -44.71 4.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.805 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 89' ' ' ASN . 56.7 p -141.84 151.42 42.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.585 HD12 HD11 ' A' ' 13' ' ' LEU . 87.2 mt -39.7 -25.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 87' ' ' THR . 1.9 t-20 -61.34 -69.58 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -56.65 -23.41 41.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 2.5 t80 -61.55 -39.36 90.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.7 t -91.56 -44.7 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -51.27 -24.91 4.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.524 ' CZ ' ' HE3' ' A' ' 83' ' ' LYS . 74.4 t80 -89.96 -64.69 1.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -47.32 -39.97 16.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.2 p -52.7 -32.1 40.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 52.5 p -83.64 -24.99 31.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.157 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.2 t -158.43 138.44 12.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.485 ' N ' ' HG3' ' A' ' 105' ' ' LYS . 14.1 p -67.65 -43.45 80.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.4 t70 60.15 42.61 15.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 108.34 -43.01 1.79 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.425 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.673 HD21 ' CD2' ' A' ' 79' ' ' LEU . 2.6 mt -40.82 131.94 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.745 0.307 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 102' ' ' LEU . 52.0 t -35.32 -39.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.689 HG13 HG11 ' A' ' 58' ' ' VAL . 2.1 p -149.15 156.0 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.485 ' HG3' ' N ' ' A' ' 99' ' ' SER . 2.6 ttmm -81.5 148.83 29.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 21.6 mt -79.11 107.97 12.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.831 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -85.29 -61.14 1.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -145.99 152.62 48.11 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.59 0.709 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 145.55 57.26 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.706 2.27 . . . . 0.0 112.33 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.5 t -54.27 168.64 0.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.7 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.918 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.4 tt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.791 0.329 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -62.04 -25.95 67.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.954 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.97 -34.68 78.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.064 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -44.66 130.85 5.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.698 0.761 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -40.97 4.6 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 11.1 p-90 -74.06 -14.57 61.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.533 ' CD2' HD22 ' A' ' 13' ' ' LEU . 12.9 t80 -85.76 124.31 32.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.564 ' O ' HG23 ' A' ' 23' ' ' ILE . 3.5 m-85 -124.34 49.71 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 20' ' ' PHE . . . 38.12 -119.83 0.83 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.511 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.19 103.25 8.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.762 HD11 ' HB2' ' A' ' 28' ' ' ALA . 9.7 pt -126.41 177.28 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -102.22 149.01 24.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.6 ptt180 -44.39 -33.46 1.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.21 -44.97 90.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.91 -39.77 87.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.762 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -69.8 -47.27 63.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.405 ' HG2' HG21 ' A' ' 64' ' ' VAL . 22.4 mt-10 -51.54 -53.13 41.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -51.42 -42.71 61.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -64.14 -36.73 84.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.634 HD11 ' HB3' ' A' ' 57' ' ' SER . 60.2 mt -74.29 -59.76 2.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 19.4 mt -51.66 -18.25 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 33' ' ' LEU . 10.9 t80 -36.51 154.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 t -70.97 -63.15 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.422 ' HB2' ' CD1' ' A' ' 111' ' ' LEU . 62.7 mt-10 -43.86 -35.8 2.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -79.9 139.27 37.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.813 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 39' ' ' THR . 27.5 mt-30 -130.86 171.54 13.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 38' ' ' GLN . 37.5 m -35.29 116.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.62 -34.34 3.04 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.459 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.23 119.32 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.329 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.878 ' HB3' HG22 ' A' ' 58' ' ' VAL . 21.3 p90 -123.67 153.32 40.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.581 HD21 ' HB1' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -158.39 129.55 6.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -99.06 139.44 20.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.482 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 16.5 ptt-85 -141.73 152.21 43.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.84 156.08 37.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.5 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.799 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.836 0.35 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.429 ' C ' HD12 ' A' ' 69' ' ' ILE . 95.7 m-85 -155.07 148.17 24.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 t -125.85 132.07 52.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.7 tp -95.45 116.52 28.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.634 ' HB3' HD11 ' A' ' 32' ' ' LEU . 1.7 m -106.53 113.99 27.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.808 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.878 HG22 ' HB3' ' A' ' 42' ' ' PHE . 22.9 t -121.4 152.43 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.121 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.53 HD12 ' O ' ' A' ' 63' ' ' VAL . 15.7 tp -98.88 132.53 44.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.965 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.924 ' O ' HG12 ' A' ' 63' ' ' VAL . 2.3 t70 -135.03 84.34 2.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 68.07 50.43 0.8 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.499 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 82.34 -12.51 44.96 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.439 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.924 HG12 ' O ' ' A' ' 60' ' ' ASP . 3.3 p -91.62 161.68 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.948 0.404 . . . . 0.0 111.124 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.431 HG13 HD12 ' A' ' 32' ' ' LEU . 97.6 t -123.76 105.98 16.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.664 ' HE3' HG11 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -87.42 105.53 17.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -83.39 110.48 18.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.645 ' HB3' HD11 ' A' ' 79' ' ' LEU . 86.7 m-85 -106.85 113.3 26.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.1 mmm-85 -70.2 126.56 30.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.429 HD12 ' C ' ' A' ' 54' ' ' PHE . 5.8 mt -101.3 128.94 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.175 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.418 ' NE ' ' CZ ' ' A' ' 78' ' ' PHE . 2.9 ptm180 -114.78 165.29 12.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.596 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 34.6 mtp180 -125.55 147.24 49.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.729 HD11 ' CE1' ' A' ' 78' ' ' PHE . 1.2 mm? . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.596 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 9.9 m-85 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.884 0.373 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.73 ' CB ' HG22 ' A' ' 84' ' ' VAL . 5.5 p90 -151.87 129.32 11.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.645 HD11 ' HB3' ' A' ' 67' ' ' TYR . 12.7 tp -88.24 -23.87 23.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.951 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 82' ' ' ARG . 6.7 t -144.65 124.98 13.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.112 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -42.09 -23.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' THR . 60.6 mtt-85 -61.72 -44.08 97.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.547 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 51.5 tptt -130.27 150.13 51.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.73 HG22 ' CB ' ' A' ' 78' ' ' PHE . 78.3 t -141.14 144.99 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.113 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 7.8 m-85 -121.11 -176.74 3.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.0 m -102.58 -50.96 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 75.1 p -129.39 166.14 20.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.088 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 45.0 mt -53.14 -27.2 19.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -62.22 -67.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -58.45 -22.04 53.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.967 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.559 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 1.6 t80 -63.24 -40.73 98.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.694 HG11 ' CE2' ' A' ' 42' ' ' PHE . 99.3 t -92.55 -37.92 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -55.65 -18.11 7.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.547 ' CE2' ' HE2' ' A' ' 83' ' ' LYS . 29.3 t80 -91.94 -64.92 1.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.47 ' CD1' HD12 ' A' ' 102' ' ' LEU . 32.4 m-85 -51.49 -28.71 14.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.61 -21.58 10.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.5 p -88.1 -40.71 13.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.189 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.1 t -149.52 163.56 37.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.487 ' HB3' ' CA ' ' A' ' 105' ' ' LYS . 37.8 p -105.97 37.56 2.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -41.6 97.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.11 -44.29 2.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.47 HD12 ' CD1' ' A' ' 95' ' ' TYR . 2.5 mt -61.76 150.35 37.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.2 t -59.6 -38.62 81.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.539 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.2 p -139.23 160.72 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.539 ' N ' HG22 ' A' ' 104' ' ' VAL . 12.1 ttmt -91.32 127.83 36.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.418 ' CD2' HG21 ' A' ' 58' ' ' VAL . 29.7 mt -58.0 115.25 2.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -94.2 -68.2 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.559 ' C ' ' CE1' ' A' ' 42' ' ' PHE . 31.1 mttp -137.89 152.61 72.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.556 0.693 . . . . 0.0 110.843 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 141.24 44.42 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.654 2.236 . . . . 0.0 112.353 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 12.0 t -51.12 146.98 5.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.422 ' CD1' ' HB2' ' A' ' 36' ' ' GLU . 11.7 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.046 HD11 HD12 ' A' ' 88' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.729 0.299 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -53.02 -21.81 5.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.31 -28.84 62.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.065 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.48 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 78.0 mm-40 -60.03 134.27 90.17 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.675 0.75 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -40.88 4.9 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.388 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.48 ' CZ2' ' HG3' ' A' ' 16' ' ' GLU . 22.2 p-90 -68.51 -11.4 59.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.658 ' CG ' HD22 ' A' ' 13' ' ' LEU . 8.7 t80 -92.07 119.44 31.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.411 ' O ' HG23 ' A' ' 23' ' ' ILE . 3.6 m-85 -115.65 25.88 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.845 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.42 -117.74 12.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.425 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -121.47 98.48 5.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.633 HD11 ' HB2' ' A' ' 28' ' ' ALA . 18.2 pt -125.77 172.97 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -99.12 159.23 15.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.445 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 8.8 ptt85 -50.23 -36.12 29.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.445 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -63.53 -42.91 98.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -70.79 -37.94 73.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.633 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -70.9 -38.96 73.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.098 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 32' ' ' LEU . 55.3 mt-10 -63.53 -64.56 0.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -39.8 -29.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -76.19 -40.01 53.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 29' ' ' GLU . 67.7 mt -75.59 -43.56 47.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.433 HD21 ' CG2' ' A' ' 64' ' ' VAL . 4.3 mm? -62.35 -13.49 29.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 1.057 ' CD2' HD21 ' A' ' 111' ' ' LEU . 4.8 t80 -45.13 170.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.2 t -88.89 -59.98 2.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -42.87 -27.27 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.792 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.41 ' ND2' HD23 ' A' ' 111' ' ' LEU . 86.7 m-20 -87.58 151.84 22.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.464 ' O ' HD23 ' A' ' 59' ' ' LEU . 2.6 pp0? -133.23 -174.69 3.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.415 HG23 ' HA ' ' A' ' 60' ' ' ASP . 58.5 m -54.32 106.94 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.232 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.93 -28.71 2.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.541 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.443 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -45.11 115.12 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.861 0.362 . . . . 0.0 111.017 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.982 ' CE2' HG11 ' A' ' 92' ' ' VAL . 21.9 p90 -120.3 153.31 36.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.619 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.4 pp -163.95 127.82 2.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mp -99.15 144.48 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.113 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.6 ptt85 -139.11 160.59 39.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -87.09 119.93 27.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.5 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.774 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -134.8 149.29 50.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 65.6 m -123.83 126.32 46.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.821 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.472 ' HB2' HD11 ' A' ' 69' ' ' ILE . 12.0 tp -93.15 110.71 22.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 t -102.21 117.18 34.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.536 HG22 ' HB3' ' A' ' 42' ' ' PHE . 16.4 t -124.15 152.18 29.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.492 HD11 ' HA2' ' A' ' 62' ' ' GLY . 24.5 tp -99.24 132.65 44.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.972 ' O ' HG12 ' A' ' 63' ' ' VAL . 3.1 t70 -134.03 82.14 1.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 70.75 42.63 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.492 ' HA2' HD11 ' A' ' 59' ' ' LEU . . . 88.88 -10.64 71.81 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.452 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.972 HG12 ' O ' ' A' ' 60' ' ' ASP . 6.1 p -94.39 154.27 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.339 . . . . 0.0 111.109 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.473 HG21 ' HG2' ' A' ' 29' ' ' GLU . 45.0 t -114.28 110.96 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -91.95 107.08 18.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -84.26 110.21 18.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 65' ' ' LYS . 67.3 m-85 -108.2 116.01 31.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -69.84 117.17 11.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.472 HD11 ' HB2' ' A' ' 56' ' ' LEU . 44.5 mt -89.13 103.74 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.499 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 27.7 mtm-85 -79.73 146.38 32.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.575 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 12.0 mtp-105 -118.4 149.3 41.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.727 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 9.7 m-85 . . . . . 0 CA--C 1.527 0.084 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.727 ' CE1' HD11 ' A' ' 72' ' ' LEU . 7.5 p90 -163.03 129.06 3.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.445 ' CD2' HD21 ' A' ' 102' ' ' LEU . 11.1 tp -87.03 -15.62 38.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.537 HG23 ' H ' ' A' ' 83' ' ' LYS . 3.1 t -160.47 125.56 3.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 80' ' ' THR . 17.4 mmm180 -33.52 -48.6 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.483 ' HG2' HG23 ' A' ' 80' ' ' THR . 0.1 OUTLIER -51.68 -45.18 63.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.537 ' H ' HG23 ' A' ' 80' ' ' THR . 9.7 tptt -113.33 124.82 53.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.543 HG13 ' HB3' ' A' ' 78' ' ' PHE . 99.6 t -134.18 136.43 53.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.475 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 23.2 m-85 -118.99 -174.69 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 m -110.81 -50.16 2.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.2 p -124.75 154.73 40.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 1.046 HD12 HD11 ' A' ' 13' ' ' LEU . 86.9 mt -47.36 -26.76 1.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -63.6 -63.55 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.403 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 10.2 mt-10 -63.03 -10.06 12.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.9 t80 -78.44 -40.87 34.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.982 HG11 ' CE2' ' A' ' 42' ' ' PHE . 45.2 t -92.7 -35.72 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -59.72 -18.05 39.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.536 ' CE2' ' HE2' ' A' ' 83' ' ' LYS . 45.3 t80 -92.36 -56.13 3.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.984 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -62.15 -12.78 21.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 92' ' ' VAL . 2.3 p -76.45 0.14 20.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.442 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 6.8 p -111.51 -26.33 9.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.0 t -162.35 157.49 22.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.9 p -106.79 59.27 0.63 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -49.96 87.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.809 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 87.11 -43.88 3.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.445 HD21 ' CD2' ' A' ' 79' ' ' LEU . 1.9 mt -46.51 135.63 8.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.919 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 44.8 t -43.17 -41.03 3.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.507 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 1.6 p -145.47 159.49 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.507 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 20.3 ttpp -92.56 130.16 38.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.499 ' CD1' HG13 ' A' ' 92' ' ' VAL . 18.8 mt -56.58 120.35 7.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -101.14 -66.03 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt -137.27 152.69 73.91 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.547 0.689 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 149.03 66.18 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.701 2.267 . . . . 0.0 112.309 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.5 t -61.48 151.28 33.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 1.057 HD21 ' CD2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.816 HD11 HD12 ' A' ' 88' ' ' LEU . 2.0 tt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.74 0.305 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -52.5 -33.04 43.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.81 -32.75 72.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.053 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.423 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 27.6 mm-40 -53.92 131.69 58.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.649 0.738 . . . . 0.0 110.862 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -45.35 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.462 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 16.0 p-90 -64.9 -15.14 61.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.99 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.544 ' CG ' HD22 ' A' ' 13' ' ' LEU . 9.2 t80 -87.35 130.29 34.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.467 ' O ' HG23 ' A' ' 23' ' ' ILE . 7.8 m-85 -129.45 32.58 4.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.33 -120.32 15.44 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.569 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.88 103.55 9.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.707 0.289 . . . . 0.0 111.079 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.516 HD11 ' HB2' ' A' ' 28' ' ' ALA . 18.7 pt -129.43 174.42 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -100.92 163.4 12.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 11.3 ptt-85 -53.02 -34.48 56.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.437 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -62.98 -49.59 74.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.43 ' HA ' ' CD ' ' A' ' 30' ' ' LYS . 5.2 m-20 -66.31 -34.9 79.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.516 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -72.88 -40.21 65.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.693 ' HG2' HG21 ' A' ' 64' ' ' VAL . 28.5 mt-10 -65.35 -64.62 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.43 ' CD ' ' HA ' ' A' ' 27' ' ' ASP . 9.9 ptmm? -38.34 -33.64 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.428 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 23.8 mm-40 -73.28 -42.81 62.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.481 ' CD1' HG13 ' A' ' 64' ' ' VAL . 83.7 mt -71.1 -42.21 69.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.1 -20.47 65.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -40.67 146.61 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 t -63.09 -58.93 5.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.827 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -41.67 -41.02 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 79.3 m-20 -75.38 151.47 38.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -141.33 172.62 12.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.453 HG23 ' HA ' ' A' ' 60' ' ' ASP . 13.2 m -39.41 115.16 0.47 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.88 -36.47 2.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.37 130.06 4.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.862 0.363 . . . . 0.0 111.081 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.824 ' CE2' HG11 ' A' ' 92' ' ' VAL . 21.0 p90 -133.46 156.25 48.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.795 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.564 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.0 OUTLIER -162.84 129.51 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -100.46 148.43 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.1 ptt85 -143.82 169.89 16.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -90.78 130.6 36.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.1 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.784 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 t0 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.805 0.336 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -147.26 153.79 40.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 t -126.39 137.84 53.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.817 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.9 tp -105.9 122.6 46.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.972 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 t -114.0 115.63 27.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.698 HG22 ' HB3' ' A' ' 42' ' ' PHE . 19.9 t -121.16 149.93 24.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.174 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 63' ' ' VAL . 32.5 tp -96.95 133.18 41.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.876 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.7 t70 -135.02 74.82 1.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.816 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.416 ' HG3' ' C ' ' A' ' 60' ' ' ASP . 16.1 mt-10 75.06 54.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.39 -5.53 50.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.876 HG12 ' O ' ' A' ' 60' ' ' ASP . 6.6 p -97.34 156.82 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.371 . . . . 0.0 111.087 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.693 HG21 ' HG2' ' A' ' 29' ' ' GLU . 42.1 t -120.62 105.46 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.585 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -87.63 109.49 19.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.428 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 89.1 m-70 -87.06 111.72 21.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.808 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.585 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 85.2 m-85 -106.6 134.93 48.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -87.38 121.48 29.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.829 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.5 mt -95.56 105.43 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -91.74 144.27 25.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.566 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 32.7 mtp180 -107.85 154.52 21.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.749 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 24.6 m-85 . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.819 0.342 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.749 ' CE1' HD11 ' A' ' 72' ' ' LEU . 5.6 p90 -153.24 129.18 10.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.0 tp -85.73 -24.45 26.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 81' ' ' ARG . 9.8 t -150.72 123.11 8.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 80' ' ' THR . 11.5 mmm180 -33.48 -45.32 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.411 ' HB3' ' NH1' ' A' ' 82' ' ' ARG . 4.6 mmm180 -37.77 -49.79 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 84' ' ' VAL . 41.6 tptt -129.32 149.04 51.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.513 HG22 ' CB ' ' A' ' 78' ' ' PHE . 67.9 t -136.53 146.31 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.557 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 21.8 m-85 -122.07 178.4 4.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 m -105.42 -50.43 3.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.4 p -126.95 155.62 42.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.157 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.816 HD12 HD11 ' A' ' 13' ' ' LEU . 88.0 mt -47.6 -25.35 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -63.71 -63.26 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -62.86 -18.57 63.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.557 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 1.5 t80 -67.49 -40.99 85.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.824 HG11 ' CE2' ' A' ' 42' ' ' PHE . 88.5 t -92.39 -34.89 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -59.76 -18.57 44.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -89.01 -64.61 1.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.445 ' CD1' HD12 ' A' ' 102' ' ' LEU . 36.9 m-85 -49.55 -34.83 18.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.932 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.62 HG23 ' O ' ' A' ' 92' ' ' VAL . 7.0 p -49.04 -18.38 0.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.164 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 20.1 p -94.4 -32.23 13.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.0 t -160.32 149.64 17.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.487 ' HB3' ' CA ' ' A' ' 105' ' ' LYS . 61.4 p -92.19 42.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.848 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 99' ' ' SER . 5.6 t70 -36.83 98.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.3 -46.7 3.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.445 HD12 ' CD1' ' A' ' 95' ' ' TYR . 2.4 mt -52.04 145.21 10.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.94 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 55.5 m -55.89 -37.51 68.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.544 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.2 p -142.81 160.69 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.544 ' N ' HG22 ' A' ' 104' ' ' VAL . 27.4 ttpp -90.79 135.12 33.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.09 112.45 3.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -87.75 -65.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -140.28 152.51 67.14 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.563 0.697 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 110' ' ' CYS . 53.8 Cg_endo -69.76 121.85 8.54 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 109' ' ' PRO . 35.3 t -34.73 150.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.9 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.618 HD22 ' CD2' ' A' ' 19' ' ' PHE . 1.8 tt . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.755 0.312 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -56.12 -26.13 48.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.72 -25.78 64.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.473 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 2.6 mm-40 -58.48 134.37 85.55 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.587 0.708 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -45.23 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.723 2.282 . . . . 0.0 112.291 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.519 ' CH2' ' HB3' ' A' ' 88' ' ' LEU . 25.7 p-90 -66.25 -16.6 64.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.618 ' CD2' HD22 ' A' ' 13' ' ' LEU . 6.9 t80 -88.3 121.26 30.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -117.82 24.64 10.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.53 -108.32 2.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.3 101.83 5.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.825 0.345 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.428 HD11 ' HB2' ' A' ' 28' ' ' ALA . 17.7 pt -131.6 163.15 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.26 157.69 18.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.47 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 9.3 ptt180 -50.38 -35.35 27.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.47 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -61.86 -44.07 97.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.2 -37.79 78.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.428 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -69.11 -40.68 78.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 32' ' ' LEU . 27.9 mt-10 -60.86 -64.84 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -39.77 -32.6 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -74.23 -38.86 63.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.725 ' CD1' HG13 ' A' ' 64' ' ' VAL . 95.7 mt -74.4 -44.86 50.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.26 -14.52 39.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.925 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.955 ' CD2' HD21 ' A' ' 111' ' ' LEU . 4.1 t80 -45.18 158.24 0.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 36' ' ' GLU . 30.9 t -74.18 -69.39 0.45 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.878 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 35' ' ' SER . 8.0 mm-40 -35.75 -38.88 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.493 ' CG ' HD23 ' A' ' 111' ' ' LEU . 94.1 m-20 -78.13 140.89 39.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -130.31 175.63 8.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.444 HG23 ' HA ' ' A' ' 60' ' ' ASP . 89.6 m -39.81 114.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.211 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.31 -36.4 2.14 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -40.9 118.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 111.151 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.828 ' HB3' HG22 ' A' ' 58' ' ' VAL . 46.3 p90 -130.38 141.03 50.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.932 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.426 ' O ' HD12 ' A' ' 43' ' ' LEU . 3.4 pp -151.61 131.97 13.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.4 mp -100.37 135.83 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.3 ptt85 -128.64 158.75 37.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -92.26 127.41 37.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.749 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.419 ' OD2' ' NH1' ' A' ' 71' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.869 0.366 . . . . 0.0 110.809 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.455 ' CE1' HD11 ' A' ' 88' ' ' LEU . 96.1 m-85 -132.97 162.24 32.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.8 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -141.62 122.04 14.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.834 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.9 tp -94.15 120.14 33.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.434 ' OG ' HD11 ' A' ' 32' ' ' LEU . 24.8 p -114.4 113.24 24.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.828 HG22 ' HB3' ' A' ' 42' ' ' PHE . 37.9 t -115.22 149.56 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.091 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.405 HD11 ' HA2' ' A' ' 62' ' ' GLY . 26.8 tp -95.75 132.32 41.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.913 ' O ' HG12 ' A' ' 63' ' ' VAL . 2.6 t70 -135.04 78.92 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 73.92 49.52 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.405 ' HA2' HD11 ' A' ' 59' ' ' LEU . . . 80.95 -6.35 62.85 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.441 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.913 HG12 ' O ' ' A' ' 60' ' ' ASP . 5.3 p -97.95 147.23 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 111.069 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.725 HG13 ' CD1' ' A' ' 32' ' ' LEU . 21.6 t -109.81 108.49 25.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.587 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -89.26 109.31 20.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -85.01 110.31 18.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.587 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 87.3 m-85 -106.67 113.44 26.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -67.86 130.21 42.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.3 mt -100.04 101.12 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.187 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 10.9 mtt85 -87.58 134.67 33.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.419 ' NH1' ' OD2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -104.48 149.07 25.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.707 HD11 ' CE2' ' A' ' 78' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.898 0.38 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.707 ' CE2' HD11 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -160.1 131.7 6.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.532 HD11 ' CB ' ' A' ' 67' ' ' TYR . 6.2 tp -89.12 -27.67 20.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.518 HG23 ' H ' ' A' ' 82' ' ' ARG . 10.9 t -143.84 160.69 40.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -80.06 37.91 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.518 ' H ' HG23 ' A' ' 80' ' ' THR . 2.0 mmp_? -126.11 -19.61 4.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.577 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 17.2 mmmt -154.09 143.65 21.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.5 t -133.98 138.82 49.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.567 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 47.2 m-85 -120.13 178.8 4.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.2 m -99.03 -54.14 3.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.9 p -124.79 158.95 32.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.106 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.566 ' HB2' HD11 ' A' ' 13' ' ' LEU . 52.8 mt -48.75 -23.79 1.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.403 ' OD1' ' ND2' ' A' ' 93' ' ' ASN . 2.2 t-20 -64.7 -65.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -59.62 -19.31 48.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.579 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 0.8 OUTLIER -69.99 -39.64 75.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 96' ' ' THR . 94.3 t -92.58 -36.92 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.197 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.403 ' ND2' ' OD1' ' A' ' 89' ' ' ASN . 95.3 m-20 -58.51 -13.42 5.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.577 ' CE2' ' HE2' ' A' ' 83' ' ' LYS . 42.2 t80 -96.26 -69.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.435 ' O ' ' N ' ' A' ' 97' ' ' THR . 15.5 m-85 -44.98 -44.35 9.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 92' ' ' VAL . 20.0 p -37.85 -30.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 95' ' ' TYR . 17.8 p -80.48 -47.21 14.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.5 t -143.27 149.45 37.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.456 ' HB3' ' CA ' ' A' ' 105' ' ' LYS . 6.3 p -98.43 33.6 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -40.6 101.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 99.87 -47.67 1.29 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.506 HD21 ' CD2' ' A' ' 79' ' ' LEU . 5.1 mt -63.8 151.72 41.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 11.4 t -62.87 -37.56 87.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.594 HG13 HG11 ' A' ' 58' ' ' VAL . 1.6 p -139.29 157.05 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.468 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 10.6 ttmt -88.65 141.49 28.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.555 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 19.6 mt -68.18 102.68 1.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -80.54 -64.62 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -141.72 149.13 52.45 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.611 0.719 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 110' ' ' CYS . 54.3 Cg_endo -69.79 130.85 20.02 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.725 2.283 . . . . 0.0 112.302 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 109' ' ' PRO . 6.2 t -37.65 147.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.955 HD21 ' CD2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.922 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.838 HD21 ' HB2' ' A' ' 88' ' ' LEU . 4.0 mt . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.771 0.32 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -52.33 -25.88 10.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.14 -27.81 42.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.078 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.436 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 6.9 mm-40 -62.87 128.05 91.47 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.64 0.734 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -43.3 2.8 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.636 2.224 . . . . 0.0 112.363 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.436 ' CZ2' ' HG3' ' A' ' 16' ' ' GLU . 20.3 p-90 -65.64 -13.72 59.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -85.86 119.55 26.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.64 ' O ' HG23 ' A' ' 23' ' ' ILE . 32.9 m-85 -119.42 50.08 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 20' ' ' PHE . . . 34.69 -122.91 0.49 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.464 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.91 101.99 8.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.721 0.296 . . . . 0.0 111.116 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.762 HD11 ' HB2' ' A' ' 28' ' ' ALA . 9.2 pt -127.75 177.36 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.7 mtmm -102.33 154.72 18.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 8.2 ptt180 -48.32 -34.92 11.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.461 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -64.01 -45.54 88.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -67.6 -36.2 80.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.762 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -73.86 -40.48 63.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.638 ' HG2' HG21 ' A' ' 64' ' ' VAL . 9.8 mt-10 -58.97 -66.06 0.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -40.31 -34.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -71.96 -37.69 69.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.613 HD12 HG13 ' A' ' 64' ' ' VAL . 17.0 mt -75.7 -46.34 31.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.529 HD11 ' O ' ' A' ' 62' ' ' GLY . 4.2 mm? -61.82 -14.08 29.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.869 ' CD2' HD21 ' A' ' 111' ' ' LEU . 4.4 t80 -41.02 156.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.4 t -72.04 -62.49 1.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.483 ' HB2' ' CD2' ' A' ' 111' ' ' LEU . 61.0 mt-10 -43.46 -33.11 1.01 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.846 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.478 ' OD1' HD23 ' A' ' 111' ' ' LEU . 77.1 m-20 -86.48 143.67 27.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -136.4 179.5 6.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.619 HG23 ' HA ' ' A' ' 60' ' ' ASP . 60.5 m -39.35 117.74 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.18 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.27 -35.11 3.04 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.446 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.27 118.89 2.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.907 0.384 . . . . 0.0 111.074 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.743 ' HB3' HG22 ' A' ' 58' ' ' VAL . 27.4 p90 -121.79 160.61 24.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.604 HD21 ' HB1' ' A' ' 28' ' ' ALA . 0.7 OUTLIER -166.29 130.95 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -101.29 140.44 20.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.414 ' NH2' ' ND1' ' A' ' 66' ' ' HIS . 14.1 ptt-85 -142.02 152.11 43.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.2 141.0 49.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.81 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.9 t70 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.792 0.33 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -150.91 146.36 26.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.3 m -123.73 132.61 53.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.503 ' HB2' HD11 ' A' ' 69' ' ' ILE . 9.1 tp -99.32 107.67 20.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.977 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -96.09 120.87 37.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.743 HG22 ' HB3' ' A' ' 42' ' ' PHE . 20.1 t -125.64 150.93 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.196 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.408 HD11 ' HA2' ' A' ' 62' ' ' GLY . 19.3 tp -101.45 133.58 45.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.957 ' O ' HG12 ' A' ' 63' ' ' VAL . 0.9 OUTLIER -135.05 79.76 1.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.767 179.873 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 72.92 36.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.529 ' O ' HD11 ' A' ' 33' ' ' LEU . . . 96.79 -12.68 65.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.492 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.957 HG12 ' O ' ' A' ' 60' ' ' ASP . 8.6 p -92.3 141.82 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 0.0 111.097 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.638 HG21 ' HG2' ' A' ' 29' ' ' GLU . 42.5 t -106.72 105.79 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.476 ' HE3' HG11 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -92.26 106.26 18.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.414 ' ND1' ' NH2' ' A' ' 45' ' ' ARG . 26.9 m-70 -83.66 115.73 22.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.787 ' HB3' HD11 ' A' ' 79' ' ' LEU . 98.2 m-85 -106.49 109.74 21.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.481 ' NE ' ' HE ' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -64.95 117.11 7.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.942 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.503 HD11 ' HB2' ' A' ' 56' ' ' LEU . 14.7 mt -92.53 123.58 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.481 ' HE ' ' NE ' ' A' ' 68' ' ' ARG . 20.4 mmt180 -100.45 165.11 11.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.445 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 6.8 mtm-85 -127.17 150.02 49.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.635 ' CD2' ' CD1' ' A' ' 78' ' ' PHE . 2.6 mm? . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.445 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 38.0 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.887 0.375 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.635 ' CD1' ' CD2' ' A' ' 72' ' ' LEU . 13.6 p90 -154.07 140.14 18.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.787 HD11 ' HB3' ' A' ' 67' ' ' TYR . 13.4 tp -95.57 -20.21 19.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.507 ' CG2' ' HG2' ' A' ' 82' ' ' ARG . 8.9 t -143.66 140.26 29.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -59.13 -9.47 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.507 ' HG2' ' CG2' ' A' ' 80' ' ' THR . 17.6 ptt180 -104.06 20.68 17.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.54 ' HE3' ' CZ ' ' A' ' 94' ' ' TYR . 1.0 OUTLIER -177.17 110.89 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.597 HG13 ' HB3' ' A' ' 78' ' ' PHE . 87.0 t -121.37 149.38 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.08 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -124.35 -175.39 3.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.0 m -102.13 -56.57 2.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 77.0 p -125.95 162.8 24.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.838 ' HB2' HD21 ' A' ' 13' ' ' LEU . 93.1 mt -51.65 -24.06 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.448 ' O ' ' CG ' ' A' ' 93' ' ' ASN . 3.6 t-20 -64.74 -65.2 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.406 ' HA ' ' ND2' ' A' ' 93' ' ' ASN . 26.2 mt-10 -60.45 -15.74 29.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.567 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.1 t80 -69.47 -38.79 77.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.665 HG11 ' CE2' ' A' ' 42' ' ' PHE . 88.6 t -92.7 -36.97 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 89' ' ' ASN . 3.3 m-20 -55.09 -26.2 36.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.54 ' CZ ' ' HE3' ' A' ' 83' ' ' LYS . 26.8 t80 -85.7 -63.42 1.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -53.69 -20.79 5.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 92' ' ' VAL . 1.4 p -65.46 -11.23 41.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.072 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.8 p -96.75 -30.91 12.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.2 t -161.79 161.46 29.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.185 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 101' ' ' GLY . 83.2 p -106.3 45.59 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -38.19 92.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.92 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 86.77 -35.23 3.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.45 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.58 HD21 ' CD2' ' A' ' 79' ' ' LEU . 6.4 mt -59.83 131.55 51.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.3 t -40.69 -43.31 1.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.558 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.6 p -141.73 161.13 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.558 ' N ' HG22 ' A' ' 104' ' ' VAL . 4.3 ttpm? -92.71 139.67 30.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.408 ' CD2' HG21 ' A' ' 58' ' ' VAL . 22.6 mt -68.41 115.49 7.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -93.53 -72.43 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -132.58 152.36 79.83 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.551 0.691 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 143.67 51.8 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.724 2.283 . . . . 0.0 112.358 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 37.9 t -54.45 128.91 33.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.869 HD21 ' CD2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.567 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.5 tt . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.756 0.313 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -58.8 -35.24 72.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.65 -28.84 68.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -53.22 130.8 51.5 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 -47.38 0.93 Allowed 'Trans proline' 0 N--CA 1.466 -0.126 0 C-N-CA 122.728 2.286 . . . . 0.0 112.355 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.496 ' CH2' ' HB3' ' A' ' 88' ' ' LEU . 21.6 p-90 -65.59 -10.5 35.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.548 ' CD2' HD22 ' A' ' 13' ' ' LEU . 6.3 t80 -91.95 123.96 35.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -121.85 24.9 9.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.75 -120.34 21.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.43 104.75 11.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.815 0.34 . . . . 0.0 111.154 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.579 HD11 ' HB2' ' A' ' 28' ' ' ALA . 20.2 pt -132.32 172.87 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 mtmm -101.49 155.33 18.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.442 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 11.5 ptt180 -48.37 -32.61 7.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.442 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -65.91 -42.66 89.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -71.37 -40.23 70.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.579 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -66.97 -39.79 87.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.835 ' HG2' HG21 ' A' ' 64' ' ' VAL . 17.4 mt-10 -60.29 -65.88 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -42.11 -27.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.806 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.415 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 14.3 mm-40 -81.81 -35.9 28.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' GLU . 25.3 mt -77.25 -47.26 20.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 32.2 mt -59.8 -19.53 51.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 1.036 ' CD2' HD21 ' A' ' 111' ' ' LEU . 5.8 t80 -35.48 145.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' GLU . 3.0 t -59.76 -68.37 0.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.912 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' SER . 73.7 mt-10 -36.2 -42.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 80.4 m-20 -68.53 152.29 45.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.535 ' C ' HD23 ' A' ' 59' ' ' LEU . 21.7 mm-40 -141.57 177.37 8.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.2 m -45.79 108.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.28 -29.33 2.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.2 117.01 1.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 111.11 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.742 ' CE2' HG11 ' A' ' 92' ' ' VAL . 15.1 p90 -121.18 155.78 33.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.494 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.2 pp -164.12 127.26 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.2 mp -99.6 143.67 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.5 ptt85 -138.2 166.8 23.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.482 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 17.1 mt-10 -84.92 136.64 33.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.823 -179.757 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.911 0.386 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.482 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 80.5 m-85 -144.85 164.16 31.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.7 t -137.54 130.21 29.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.518 ' HB2' HD11 ' A' ' 69' ' ' ILE . 14.5 tp -98.76 117.97 34.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.0 m -110.36 116.89 32.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.786 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.606 HG22 ' HB3' ' A' ' 42' ' ' PHE . 52.9 t -118.88 151.75 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 63' ' ' VAL . 28.8 tp -96.51 130.93 43.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.887 ' O ' HG12 ' A' ' 63' ' ' VAL . 0.6 OUTLIER -132.61 82.32 2.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.826 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 70.09 48.37 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.49 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 83.77 -10.4 59.99 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.448 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.887 HG12 ' O ' ' A' ' 60' ' ' ASP . 4.5 p -90.51 166.39 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.814 0.34 . . . . 0.0 111.129 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.835 HG21 ' HG2' ' A' ' 29' ' ' GLU . 36.1 t -124.86 103.79 12.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.539 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -87.52 105.52 17.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -84.58 113.52 21.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.697 ' HB3' HD11 ' A' ' 79' ' ' LEU . 86.6 m-85 -106.55 122.78 47.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.97 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.677 ' O ' HD12 ' A' ' 79' ' ' LEU . 3.7 mmm180 -72.85 129.24 37.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.518 HD11 ' HB2' ' A' ' 56' ' ' LEU . 45.2 mt -108.82 106.04 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.457 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 2.0 mpt_? -93.31 155.84 17.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.583 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 15.1 mtp-105 -116.98 150.5 38.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.472 HD11 ' CE1' ' A' ' 78' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.583 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 38.5 m-85 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.822 0.344 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.472 ' CE1' HD11 ' A' ' 72' ' ' LEU . 4.9 p90 -155.46 134.21 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.697 HD11 ' HB3' ' A' ' 67' ' ' TYR . 16.3 tp -95.53 -19.63 19.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.445 ' CG2' ' HB3' ' A' ' 83' ' ' LYS . 5.3 t -143.64 135.47 26.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.186 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -53.66 -23.73 12.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.422 ' NH2' ' HA3' ' A' ' 101' ' ' GLY . 5.7 ptt180 -86.58 14.07 7.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.561 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 33.9 tptt -161.95 156.67 22.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 83' ' ' LYS . 84.5 t -160.79 144.91 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.121 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.459 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 38.7 m-85 -127.44 176.85 7.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 66.4 m -98.46 -46.72 5.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 89' ' ' ASN . 68.2 p -139.73 153.63 47.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.496 ' HB3' ' CH2' ' A' ' 18' ' ' TRP . 84.3 mt -40.43 -25.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.98 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 87' ' ' THR . 1.8 t-20 -61.23 -69.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -57.67 -22.47 46.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.535 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.8 t80 -63.61 -40.54 97.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.742 HG11 ' CE2' ' A' ' 42' ' ' PHE . 90.8 t -92.36 -34.5 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.48 ' ND2' ' C ' ' A' ' 93' ' ' ASN . 0.1 OUTLIER -63.9 -14.85 56.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.561 ' CE2' ' HE2' ' A' ' 83' ' ' LYS . 47.6 t80 -89.78 -69.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.537 ' CD1' HD12 ' A' ' 102' ' ' LEU . 31.7 m-85 -47.05 -40.78 15.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 92' ' ' VAL . 4.6 p -40.0 -27.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 95' ' ' TYR . 7.5 p -83.36 -40.38 19.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 95' ' ' TYR . 10.0 t -154.26 159.41 41.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.6 p -101.43 34.95 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 99' ' ' SER . 72.9 m-20 -34.99 93.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 96.3 -45.18 1.93 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.55 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.537 HD12 ' CD1' ' A' ' 95' ' ' TYR . 4.6 mt -59.61 144.82 46.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.775 0.322 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.3 t -56.38 -37.48 70.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.502 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.2 p -142.75 158.16 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.502 ' N ' HG22 ' A' ' 104' ' ' VAL . 30.4 ttpt -90.55 142.37 27.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.3 mt -70.6 110.01 5.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -89.01 -64.74 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -137.26 152.43 73.43 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.626 0.727 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 152.76 69.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.722 2.281 . . . . 0.0 112.315 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 46.5 t -62.39 127.49 31.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 1.036 HD21 ' CD2' ' A' ' 34' ' ' TYR . 1.2 pp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.467 ' CD1' HD12 ' A' ' 88' ' ' LEU . 6.0 mt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.777 0.322 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -52.76 -18.81 2.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.95 -30.21 21.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.427 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 72.8 mm-40 -55.88 133.03 73.26 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.657 0.741 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.47 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 53.5 Cg_endo -69.78 -41.59 4.13 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.73 2.286 . . . . 0.0 112.317 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.452 ' CE3' HD13 ' A' ' 44' ' ' ILE . 12.1 p-90 -69.29 -18.92 63.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -86.75 119.57 27.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.685 ' O ' HG23 ' A' ' 23' ' ' ILE . 23.5 m-85 -121.4 37.55 4.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 44.45 -136.24 5.92 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.458 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.05 104.74 16.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.744 0.307 . . . . 0.0 111.07 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.685 HG23 ' O ' ' A' ' 20' ' ' PHE . 7.9 pt -131.37 166.01 29.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.76 161.97 14.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.498 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -53.81 -28.99 38.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.498 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -66.35 -45.02 81.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.077 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.46 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 5.2 t70 -70.64 -37.67 73.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.617 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -72.74 -44.71 61.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.167 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -61.4 -56.07 24.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -52.69 -37.85 59.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.499 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 14.3 mm-40 -68.26 -34.9 77.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.614 HD11 ' HB3' ' A' ' 57' ' ' SER . 35.1 mt -76.2 -54.77 6.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.475 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 23.5 mt -53.82 -19.68 4.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.473 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 9.7 t80 -35.85 146.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 37' ' ' ASN . 2.4 m -61.88 -66.0 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.893 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -39.78 -28.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 87.9 m-20 -88.67 156.07 19.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.68 ' C ' HD23 ' A' ' 59' ' ' LEU . 20.9 pt20 -151.95 176.69 11.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 38' ' ' GLN . 23.4 m -36.69 116.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.05 -33.58 3.65 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.497 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.13 112.26 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.874 0.368 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.772 ' HB3' HG22 ' A' ' 58' ' ' VAL . 29.1 p90 -117.43 161.35 19.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 pp -170.35 129.04 0.86 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.452 HD13 ' CE3' ' A' ' 18' ' ' TRP . 5.2 mp -99.33 139.4 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.483 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 15.9 ptt-85 -138.0 158.48 44.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -72.96 133.97 44.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.6 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.843 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.858 0.361 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -146.0 172.4 13.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.813 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.7 p -144.77 125.32 14.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.893 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.409 ' HB2' HD11 ' A' ' 69' ' ' ILE . 18.0 tp -93.21 117.54 30.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.614 ' HB3' HD11 ' A' ' 32' ' ' LEU . 1.6 m -109.71 113.83 26.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.772 HG22 ' HB3' ' A' ' 42' ' ' PHE . 15.3 t -116.3 154.05 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.162 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.68 HD23 ' C ' ' A' ' 38' ' ' GLN . 25.2 tp -99.88 132.75 45.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.954 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.0 OUTLIER -135.04 84.74 2.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.748 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 67.96 41.37 2.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.475 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 91.59 -14.45 63.96 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.532 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.954 HG12 ' O ' ' A' ' 60' ' ' ASP . 6.0 p -88.69 160.01 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 111.181 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.419 HG13 HD12 ' A' ' 32' ' ' LEU . 59.1 t -122.03 107.52 20.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -90.31 107.64 19.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.891 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -83.4 113.91 21.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.778 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 83.7 m-85 -110.83 114.69 28.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.5 mmm-85 -64.79 132.33 49.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.409 HD11 ' HB2' ' A' ' 56' ' ' LEU . 64.7 mt -105.18 96.21 4.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.21 154.95 28.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.575 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 35.3 mtp180 -121.07 142.78 49.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.483 HD11 ' CE1' ' A' ' 78' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 22.4 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.897 0.379 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.483 ' CE1' HD11 ' A' ' 72' ' ' LEU . 3.5 p90 -158.98 132.31 7.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.445 HD11 ' HB3' ' A' ' 67' ' ' TYR . 8.9 tp -90.44 -27.94 18.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.42 HG23 ' H ' ' A' ' 82' ' ' ARG . 14.0 t -144.71 153.0 41.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -64.51 -8.62 14.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.42 ' H ' HG23 ' A' ' 80' ' ' THR . 19.6 mmm180 -98.06 3.09 49.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.472 ' HD3' ' CZ ' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -154.96 141.02 18.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.955 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 74.0 t -149.72 142.73 17.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.563 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 25.4 m-85 -134.11 170.67 15.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.85 -41.57 7.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.4 p -128.37 158.67 37.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.467 HD12 ' CD1' ' A' ' 13' ' ' LEU . 65.3 mt -55.37 -32.46 62.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.951 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -60.35 -54.51 44.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -68.37 -13.75 62.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.57 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 0.9 OUTLIER -77.35 -37.7 51.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.656 HG11 ' CE2' ' A' ' 42' ' ' PHE . 92.3 t -92.72 -35.56 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -58.88 -22.34 59.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.442 ' CE1' ' HD2' ' A' ' 83' ' ' LYS . 6.8 t80 -88.61 -62.09 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -54.93 -15.47 2.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.989 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 92' ' ' VAL . 0.8 OUTLIER -69.99 -12.44 61.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.17 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.9 p -98.1 -31.45 12.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.117 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.2 t -159.29 152.09 21.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.487 ' HB3' ' N ' ' A' ' 105' ' ' LYS . 91.0 p -91.5 43.82 1.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 99' ' ' SER . 68.8 m-20 -34.58 94.89 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 84.5 -52.89 4.77 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.559 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.429 HD21 ' CD2' ' A' ' 79' ' ' LEU . 4.2 mt -41.48 149.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 40.7 t -60.35 -30.54 69.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.491 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 1.5 p -152.25 157.82 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.179 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.491 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 4.9 ttpm? -85.84 143.24 28.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.537 ' HB3' ' CD1' ' A' ' 42' ' ' PHE . 16.0 mt -73.78 106.33 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -80.43 -72.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.4 mtpt -134.17 151.62 76.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.491 0.662 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 142.74 48.42 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.639 2.226 . . . . 0.0 112.379 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 14.1 t -50.06 165.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.911 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.7 m -111.22 158.43 18.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.91 0.386 . . . . 0.0 110.899 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -112.39 -51.6 2.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.24 88.62 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.516 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -113.97 125.6 54.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.363 . . . . 0.0 110.859 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.9 m -148.47 143.5 26.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.16 91.76 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.452 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.57 162.24 32.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.77 0.319 . . . . 0.0 111.041 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -43.19 -60.36 1.7 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -92.54 96.68 10.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.825 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -49.37 -31.38 9.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.4 p -53.19 -38.86 63.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.535 HD21 ' HB2' ' A' ' 88' ' ' LEU . 5.4 mt -48.44 -28.42 3.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -50.14 -30.89 12.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.13 -32.81 59.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.456 ' HG3' HD23 ' A' ' 13' ' ' LEU . 5.2 mm-40 -53.15 131.55 51.03 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.637 0.732 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.493 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 53.7 Cg_endo -69.69 -47.12 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.388 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.461 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 22.0 p-90 -65.76 -12.56 54.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.955 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -90.2 128.73 36.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.493 ' CE1' ' O ' ' A' ' 17' ' ' PRO . 3.1 m-85 -131.22 56.37 1.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 20' ' ' PHE . . . 33.99 -123.25 0.41 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.507 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.6 106.94 12.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 111.07 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.523 HD11 ' HB2' ' A' ' 28' ' ' ALA . 20.9 pt -129.92 175.16 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -102.22 157.87 16.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.482 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 2.4 ptm180 -47.06 -34.56 5.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.482 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -62.79 -52.81 61.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -61.63 -43.23 99.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.523 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -65.04 -43.41 92.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.541 ' HG2' HG21 ' A' ' 64' ' ' VAL . 9.9 mt-10 -57.95 -65.79 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -38.21 -33.88 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -73.27 -41.74 63.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.659 ' CD1' HG13 ' A' ' 64' ' ' VAL . 95.2 mt -73.41 -50.52 21.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.67 -16.7 6.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -44.21 166.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 36' ' ' GLU . 34.7 t -81.96 -67.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.828 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' SER . 39.1 mt-10 -34.69 -38.81 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -80.67 140.5 35.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -130.55 176.61 8.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.514 HG23 ' HA ' ' A' ' 60' ' ' ASP . 88.8 m -39.6 113.46 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.13 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.99 -35.2 2.58 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.86 119.62 2.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.87 0.367 . . . . 0.0 111.083 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.878 ' HB3' HG22 ' A' ' 58' ' ' VAL . 22.8 p90 -124.35 158.64 32.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.541 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.2 pp -163.13 126.71 2.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.401 HD13 ' CE3' ' A' ' 18' ' ' TRP . 4.7 mp -99.29 137.77 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.414 ' CD ' HG13 ' A' ' 23' ' ' ILE . 42.1 ptt85 -131.71 166.64 21.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.476 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 14.0 mt-10 -90.81 116.09 28.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' GLU . 38.5 t -36.32 139.42 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -86.41 -46.58 10.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.8 t -60.71 -47.48 86.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.814 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 -119.69 147.96 43.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -89.05 147.68 24.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.593 ' O ' ' CE1' ' A' ' 54' ' ' PHE . . . 93.9 -48.88 2.25 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.415 ' HA ' ' NH1' ' A' ' 71' ' ' ARG . 0.7 OUTLIER -59.43 153.12 19.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.823 0.344 . . . . 0.0 110.885 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.593 ' CE1' ' O ' ' A' ' 52' ' ' GLY . 90.1 m-85 -130.1 163.21 27.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.9 p -137.1 124.49 21.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.8 tp -93.14 104.12 16.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.7 m -96.27 109.78 22.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.878 HG22 ' HB3' ' A' ' 42' ' ' PHE . 39.5 t -112.93 147.77 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.514 HD11 ' HA2' ' A' ' 62' ' ' GLY . 19.3 tp -98.52 131.55 44.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.943 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.0 OUTLIER -135.07 81.07 1.87 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.789 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 74.3 40.64 0.41 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.514 ' HA2' HD11 ' A' ' 59' ' ' LEU . . . 89.13 -7.75 81.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.457 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.943 HG12 ' O ' ' A' ' 60' ' ' ASP . 9.8 p -96.25 141.37 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 111.168 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.659 HG13 ' CD1' ' A' ' 32' ' ' LEU . 29.8 t -106.15 109.57 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.534 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -91.03 109.95 21.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -84.03 111.11 18.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.852 ' HB3' HD11 ' A' ' 79' ' ' LEU . 94.5 m-85 -106.6 109.6 21.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.909 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -64.59 113.18 3.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.4 mt -87.46 101.17 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -83.43 159.74 21.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.581 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 6.5 mtm-85 -127.46 151.83 48.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.724 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -103.64 -175.86 2.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -104.48 -16.87 14.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.51 -29.26 7.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -98.54 -116.33 3.65 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.458 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -157.22 -93.83 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.531 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.581 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 31.0 m-85 -121.95 147.57 45.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.91 0.386 . . . . 0.0 110.812 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.724 ' CE1' HD11 ' A' ' 72' ' ' LEU . 7.6 p90 -159.05 129.53 5.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.852 HD11 ' HB3' ' A' ' 67' ' ' TYR . 12.4 tp -87.54 -21.8 25.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 80' ' ' THR . 8.7 t -147.37 118.74 7.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 80' ' ' THR . 2.7 tpt85 -34.4 -39.46 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -45.42 -50.67 12.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.848 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.564 ' HE3' ' CE1' ' A' ' 94' ' ' TYR . 2.1 tppt? -123.47 150.95 43.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.962 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.526 HG22 ' CB ' ' A' ' 78' ' ' PHE . 74.8 t -141.26 144.71 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.144 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.489 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 34.2 m-85 -119.08 -175.05 2.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.0 m -107.72 -51.06 2.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.5 p -128.78 155.15 45.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.214 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.535 ' HB2' HD21 ' A' ' 13' ' ' LEU . 90.0 mt -45.83 -25.43 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -63.65 -65.76 0.64 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -61.07 -15.34 31.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.565 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.1 t80 -70.63 -40.39 73.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.737 HG11 ' CE2' ' A' ' 42' ' ' PHE . 87.9 t -92.45 -33.76 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -58.32 -25.93 62.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.564 ' CE1' ' HE3' ' A' ' 83' ' ' LYS . 67.2 t80 -82.85 -70.92 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.564 ' CD1' HD12 ' A' ' 102' ' ' LEU . 17.3 m-85 -42.33 -47.88 4.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 92' ' ' VAL . 3.8 p -33.98 -34.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 95' ' ' TYR . 29.3 p -74.81 -49.64 19.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' TYR . 7.9 t -143.88 158.48 43.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 101' ' ' GLY . 10.3 p -101.6 44.9 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.83 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -42.1 95.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.916 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 91.99 -45.73 2.67 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.521 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.564 HD12 ' CD1' ' A' ' 95' ' ' TYR . 2.9 mt -53.75 147.76 11.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.774 0.321 . . . . 0.0 110.897 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 83.0 m -58.92 -36.64 75.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.537 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.4 p -142.82 160.14 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.537 ' N ' HG22 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -90.5 133.36 35.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.7 mt -61.87 111.76 2.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -88.22 -69.27 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -138.32 152.38 71.3 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.554 0.692 . . . . 0.0 110.989 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 142.34 47.44 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.708 2.272 . . . . 0.0 112.357 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 12.3 t -54.0 165.69 0.45 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.1 mt -85.78 170.12 12.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -121.79 95.04 4.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 11.4 mm -73.8 135.63 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -88.36 132.89 34.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 87.2 t -107.53 -43.89 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.078 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.6 t -149.34 106.91 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 115.22 162.0 13.4 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -174.73 0.96 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.722 2.281 . . . . 0.0 112.38 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.3 t -105.09 148.62 26.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.9 t -165.77 158.2 14.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.432 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 t -91.41 -51.56 5.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.941 0.401 . . . . 0.0 110.834 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.0 m -88.74 107.92 19.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.825 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.98 110.42 1.15 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.427 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.1 p -80.62 133.93 35.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 110.889 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.0 t -144.02 127.06 16.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.924 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.15 179.74 22.56 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.69 94.41 6.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.753 0.311 . . . . 0.0 111.112 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 41.68 39.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.44 61.14 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -79.56 -62.0 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.824 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.7 p -49.21 -24.68 1.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.8 tt -49.7 -25.91 3.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 4.7 pt20 -54.34 -30.35 51.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.458 ' N ' ' HG3' ' A' ' 14' ' ' GLN . . . -63.08 -33.89 76.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -52.35 132.71 43.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.662 0.744 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -46.14 1.3 Allowed 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.467 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 22.7 p-90 -63.69 -13.77 46.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.961 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.489 ' CD2' HD22 ' A' ' 13' ' ' LEU . 6.3 t80 -89.14 124.03 33.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.461 ' O ' HG23 ' A' ' 23' ' ' ILE . 19.2 m-85 -122.15 27.79 7.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.15 -117.37 10.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.537 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -120.67 100.53 7.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.858 0.361 . . . . 0.0 111.066 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.765 HD11 ' HB2' ' A' ' 28' ' ' ALA . 17.4 pt -127.78 169.31 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.34 153.33 17.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -47.08 -29.85 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.59 -42.47 82.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.19 -38.78 75.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.765 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -72.98 -46.0 54.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.093 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.608 ' HG2' HG11 ' A' ' 64' ' ' VAL . 17.0 mt-10 -58.59 -38.15 77.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -63.45 -41.79 98.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.42 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 12.2 mm-40 -69.9 -33.21 71.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.1 mt -74.34 -53.16 10.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 26.0 mt -59.81 -15.02 17.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.56 ' CE1' HD11 ' A' ' 113' ' ' ILE . 3.8 t80 -40.63 158.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.0 t -74.5 -65.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.822 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -38.86 -33.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 84.2 m-20 -81.95 145.98 30.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' THR . 17.8 mt-30 -133.42 170.77 14.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.555 HG23 ' HA ' ' A' ' 60' ' ' ASP . 84.1 m -36.45 116.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.15 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.17 -37.15 2.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -42.3 121.07 1.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.792 0.33 . . . . 0.0 111.089 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.742 ' CE2' HG11 ' A' ' 92' ' ' VAL . 17.3 p90 -126.51 158.89 34.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.674 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.3 pp -166.54 130.94 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.2 mp -101.36 140.11 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -135.97 154.01 51.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -76.03 134.45 40.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.0 t -68.64 104.46 1.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -56.62 -32.03 64.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.8 t -60.92 -55.4 33.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.891 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -130.43 113.07 13.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 52' ' ' GLY . 0.8 OUTLIER -56.88 147.04 24.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.452 ' N ' ' HD2' ' A' ' 51' ' ' LYS . . . 102.51 -37.03 3.89 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -78.53 174.82 10.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.84 0.353 . . . . 0.0 110.8 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -148.5 166.29 28.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.5 p -141.65 123.75 15.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.791 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.432 ' HB2' HD11 ' A' ' 69' ' ' ILE . 5.7 tp -93.79 110.13 21.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.968 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.9 m -101.79 117.36 34.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.729 HG22 ' HB3' ' A' ' 42' ' ' PHE . 21.2 t -119.04 157.84 20.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.164 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.5 ' N ' ' CG1' ' A' ' 58' ' ' VAL . 13.9 tp -106.49 132.61 52.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.958 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.7 t70 -134.95 86.53 2.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 69.08 33.75 3.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.499 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 97.6 -13.51 64.03 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.958 HG12 ' O ' ' A' ' 60' ' ' ASP . 9.8 p -90.48 151.16 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.371 . . . . 0.0 111.129 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.608 HG11 ' HG2' ' A' ' 29' ' ' GLU . 87.4 t -112.92 109.69 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -92.0 109.27 20.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -83.93 113.26 20.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.672 ' HB3' HD11 ' A' ' 79' ' ' LEU . 89.7 m-85 -106.57 114.3 28.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -65.08 120.54 12.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.432 HD11 ' HB2' ' A' ' 56' ' ' LEU . 61.8 mt -96.11 97.03 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.2 mtt-85 -84.36 151.99 24.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.574 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 35.7 mtp180 -117.85 144.99 44.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.736 HD11 ' CE2' ' A' ' 78' ' ' PHE . 0.6 OUTLIER -95.76 177.1 5.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -102.39 -6.31 23.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -121.5 -22.87 5.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.24 -119.18 4.3 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -149.12 -95.09 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.448 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.574 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 30.5 m-85 -122.24 146.62 47.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.363 . . . . 0.0 110.92 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.736 ' CE2' HD11 ' A' ' 72' ' ' LEU . 2.4 p90 -156.54 137.28 13.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.672 HD11 ' HB3' ' A' ' 67' ' ' TYR . 8.6 tp -97.47 -12.96 22.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.466 ' O ' ' C ' ' A' ' 81' ' ' ARG . 9.1 t -166.61 125.56 1.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.487 ' HD3' ' CE1' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -33.41 -45.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 81' ' ' ARG . 53.3 mtp85 -35.87 -49.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.83 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.493 ' HE2' ' CD2' ' A' ' 94' ' ' TYR . 47.1 tptt -133.53 148.74 51.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.491 HG22 ' CB ' ' A' ' 78' ' ' PHE . 57.9 t -138.7 141.69 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.574 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 8.6 m-85 -120.43 176.25 5.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.1 m -104.55 -47.31 4.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.812 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 69.4 p -127.45 149.8 49.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.467 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 84.4 mt -43.06 -24.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -64.1 -63.44 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -62.78 -12.37 23.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.574 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 1.8 t80 -74.19 -40.28 62.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.742 HG11 ' CE2' ' A' ' 42' ' ' PHE . 96.0 t -92.65 -39.81 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.099 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -57.56 -12.85 3.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.493 ' CD2' ' HE2' ' A' ' 83' ' ' LYS . 53.1 t80 -95.02 -66.91 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.499 ' CE1' HD12 ' A' ' 102' ' ' LEU . 26.2 m-85 -51.24 -18.29 0.9 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.958 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.51 -8.12 17.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.204 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.418 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 11.1 p -105.56 -27.77 11.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.6 t -164.35 152.76 12.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 51.3 p -98.4 44.52 1.03 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -40.11 99.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.12 -39.28 3.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.523 HD23 ' CE1' ' A' ' 67' ' ' TYR . 2.7 mt -61.9 145.47 52.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.807 0.337 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 36.8 t -56.65 -38.27 71.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.552 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.3 p -141.66 160.78 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.552 ' N ' HG22 ' A' ' 104' ' ' VAL . 25.9 ttpt -93.72 129.84 39.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.453 ' CD2' HG21 ' A' ' 58' ' ' VAL . 24.5 mt -56.59 107.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -82.33 -71.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -135.86 152.81 76.51 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.563 0.697 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 135.88 31.45 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.692 2.261 . . . . 0.0 112.355 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.4 t -47.91 144.02 3.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.44 176.68 0.6 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -128.71 98.72 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.943 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.56 HD11 ' CE1' ' A' ' 34' ' ' TYR . 91.6 mt -78.54 143.96 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -134.28 150.59 51.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.6 m -111.89 -27.64 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 89.1 p -128.84 94.48 3.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 40.1 -154.04 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.5 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 100.88 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.717 2.278 . . . . 0.0 112.412 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.3 m -53.11 155.73 2.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.1 t 44.75 42.6 6.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.568 -179.96 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.42 -0.272 . . . . 0.0 112.42 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.3 p -96.92 -51.72 4.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 110.894 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 t -132.81 168.84 17.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.43 48.69 0.59 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.5 m -121.73 173.88 7.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 110.85 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -149.32 120.68 7.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.59 -137.31 0.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.17 92.28 2.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.718 0.294 . . . . 0.0 111.089 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 42.6 41.2 2.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.464 ' OD2' HD12 ' A' ' 13' ' ' LEU . 5.6 m-20 -117.43 120.47 38.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 mtm180 -122.54 -54.76 1.86 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.7 p -55.62 -25.21 37.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.839 HD11 HD12 ' A' ' 88' ' ' LEU . 2.0 tt -48.15 -25.83 1.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 16.5 pt20 -54.58 -34.59 62.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.429 ' N ' ' HG3' ' A' ' 14' ' ' GLN . . . -60.98 -31.89 71.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.064 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -50.5 131.04 26.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.667 0.746 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -42.68 3.15 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.496 ' CH2' ' HB3' ' A' ' 88' ' ' LEU . 17.2 p-90 -69.85 -10.17 57.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.509 ' CD2' HD22 ' A' ' 13' ' ' LEU . 8.4 t80 -92.66 115.24 27.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.407 ' O ' HG23 ' A' ' 23' ' ' ILE . 14.0 m-85 -111.01 28.38 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.73 -118.32 13.53 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.94 102.51 8.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.732 0.301 . . . . 0.0 111.013 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.498 HD11 ' HB2' ' A' ' 28' ' ' ALA . 20.2 pt -130.22 170.21 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.083 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -96.7 163.95 12.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -54.64 -34.18 61.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.02 -44.36 96.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -71.08 -38.68 72.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.498 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -68.84 -37.94 79.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.69 ' HG2' HG21 ' A' ' 64' ' ' VAL . 23.3 mt-10 -68.09 -60.76 2.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 31' ' ' GLN . 10.7 ptpt -45.16 -32.63 1.91 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.407 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 18.0 mm-40 -73.84 -39.1 64.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.528 ' CD1' HG13 ' A' ' 64' ' ' VAL . 89.3 mt -73.34 -49.94 24.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.595 HD11 ' O ' ' A' ' 62' ' ' GLY . 4.2 mm? -55.35 -23.32 23.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 1.002 ' CD2' HD21 ' A' ' 111' ' ' LEU . 5.7 t80 -36.07 151.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 37' ' ' ASN . 7.5 t -67.02 -64.34 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.86 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -39.74 -28.78 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 35' ' ' SER . 88.8 m-20 -90.31 141.79 28.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 39' ' ' THR . 28.6 mt-30 -136.22 173.74 11.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 38' ' ' GLN . 85.5 m -35.01 111.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.19 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.98 -33.3 2.73 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.51 121.06 3.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 111.113 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.739 ' HB3' HG22 ' A' ' 58' ' ' VAL . 25.8 p90 -127.8 151.7 48.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.668 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.3 pp -159.51 130.78 6.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 mp -102.66 140.25 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.5 ptt85 -134.19 169.5 17.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 47' ' ' SER . 14.9 mt-10 -93.8 119.57 32.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 46' ' ' GLU . 12.8 t -34.96 136.21 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -80.54 -55.76 4.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.8 t -53.89 -56.58 16.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 tp-100 -104.39 157.33 17.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -105.8 122.13 45.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.526 ' O ' ' CE1' ' A' ' 54' ' ' PHE . . . 123.24 -35.56 3.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.33 158.97 34.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.861 0.362 . . . . 0.0 110.847 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.526 ' CE1' ' O ' ' A' ' 52' ' ' GLY . 68.1 m-85 -133.53 147.7 51.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 t -126.09 129.18 48.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 tp -95.78 115.88 28.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.2 m -106.34 114.53 28.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.739 HG22 ' HB3' ' A' ' 42' ' ' PHE . 28.0 t -117.5 147.87 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.507 HD11 ' HA2' ' A' ' 62' ' ' GLY . 29.4 tp -96.8 131.19 43.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.953 ' O ' HG12 ' A' ' 63' ' ' VAL . 5.1 t70 -135.02 84.49 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 71.44 35.57 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.595 ' O ' HD11 ' A' ' 33' ' ' LEU . . . 94.84 -11.39 69.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.422 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.953 HG12 ' O ' ' A' ' 60' ' ' ASP . 9.1 p -92.99 149.01 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 111.114 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.69 HG21 ' HG2' ' A' ' 29' ' ' GLU . 22.7 t -111.62 108.99 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.587 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -90.85 110.3 21.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -84.71 110.72 18.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.587 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 91.1 m-85 -106.49 122.31 46.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.694 ' O ' HD12 ' A' ' 79' ' ' LEU . 1.0 OUTLIER -70.25 134.87 48.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.831 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 63.1 mt -107.95 93.8 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.058 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.575 ' O ' ' CD2' ' A' ' 78' ' ' PHE . 97.9 mtt180 -85.95 133.66 33.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.602 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 1.0 OUTLIER -108.09 150.37 27.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.52 HD11 ' CE2' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -99.5 179.85 4.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.985 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -105.28 -15.95 14.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -106.85 -21.14 13.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -115.78 -108.52 2.64 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -155.81 -107.62 0.27 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.467 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.602 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 41.4 m-85 -110.97 164.78 12.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.337 . . . . 0.0 110.903 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.575 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 2.9 p90 -173.25 129.27 0.46 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.966 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.694 HD12 ' O ' ' A' ' 68' ' ' ARG . 11.5 tp -89.19 -21.47 23.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 81' ' ' ARG . 7.9 t -152.37 126.15 8.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 80' ' ' THR . 16.2 mmm-85 -36.94 -38.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -45.16 -50.17 11.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.456 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 50.2 tptt -124.38 149.87 46.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.5 HG13 ' HB3' ' A' ' 78' ' ' PHE . 57.4 t -140.34 137.94 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.065 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.571 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 14.9 m-85 -116.45 -175.44 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.6 m -106.77 -45.71 4.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 67.5 p -134.8 165.59 24.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.839 HD12 HD11 ' A' ' 13' ' ' LEU . 96.4 mt -52.49 -25.88 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.975 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -63.57 -68.87 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -58.14 -16.89 15.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.571 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 1.6 t80 -68.68 -40.86 79.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.652 HG11 ' CE2' ' A' ' 42' ' ' PHE . 87.9 t -92.63 -41.53 12.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.47 ' ND2' ' C ' ' A' ' 93' ' ' ASN . 0.1 OUTLIER -54.01 -17.63 2.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.504 ' O ' HG23 ' A' ' 97' ' ' THR . 53.4 t80 -90.61 -66.97 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.406 ' CD1' HD12 ' A' ' 102' ' ' LEU . 28.3 m-85 -52.01 -24.85 7.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.922 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.92 -11.79 2.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 94' ' ' TYR . 2.0 p -101.1 -34.71 9.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.6 t -157.57 149.23 21.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.5 p -89.84 36.78 0.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 99' ' ' SER . 21.4 t70 -35.69 95.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 92.53 -40.18 2.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.463 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 99' ' ' SER . 2.7 mt -64.83 144.24 57.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.835 0.35 . . . . 0.0 110.859 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 2.3 t -54.33 -39.31 66.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.502 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.3 p -140.1 158.17 25.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.502 ' N ' HG22 ' A' ' 104' ' ' VAL . 19.9 ttpt -90.76 137.39 32.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.424 ' HB3' ' CD1' ' A' ' 42' ' ' PHE . 16.1 mt -65.77 116.84 7.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -94.19 -65.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -137.85 151.58 70.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.655 0.741 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 141.77 45.84 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.306 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 5.7 t -53.05 136.01 36.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 1.002 HD21 ' CD2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -67.4 148.53 51.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -98.31 131.49 44.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.479 HD11 ' CD1' ' A' ' 34' ' ' TYR . 74.3 mt -107.79 141.57 22.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.426 ' N ' ' CD ' ' A' ' 114' ' ' GLN . 1.2 mp0 -65.28 88.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 28.2 m -100.32 36.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.1 m -89.81 -45.38 9.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 153.93 145.09 4.07 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.501 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 172.73 12.16 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.649 2.233 . . . . 0.0 112.345 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.6 p -63.38 -51.18 66.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.9 p -116.09 175.48 5.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 -179.905 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.7 p -110.0 158.76 17.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.92 0.391 . . . . 0.0 110.815 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -122.51 142.47 50.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.65 -120.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -109.15 130.02 55.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 110.849 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 t -51.31 -51.74 51.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.74 158.26 7.79 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -118.47 -54.92 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.679 0.276 . . . . 0.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -53.49 27.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -116.98 130.61 56.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -119.07 -52.31 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.3 p -51.24 -28.33 11.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.997 HD11 HD12 ' A' ' 88' ' ' LEU . 1.8 tt -48.25 -27.81 2.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -52.3 -33.64 43.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.94 -33.57 73.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.415 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 58.8 mm-40 -55.84 131.77 72.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.693 0.759 . . . . 0.0 110.818 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -43.42 2.67 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.679 2.253 . . . . 0.0 112.333 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.501 ' CH2' ' HB3' ' A' ' 88' ' ' LEU . 22.8 p-90 -65.63 -6.9 12.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.617 ' CG ' HD22 ' A' ' 13' ' ' LEU . 8.6 t80 -97.5 124.66 41.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.505 ' O ' HG23 ' A' ' 23' ' ' ILE . 3.3 m-85 -125.94 32.04 5.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 56.56 -133.08 51.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.22 101.41 10.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 111.046 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.585 HD11 ' HB2' ' A' ' 28' ' ' ALA . 18.3 pt -127.56 170.74 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.115 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -99.54 176.24 5.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -64.93 -31.05 72.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.72 -43.13 80.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -72.66 -37.04 68.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.585 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -73.51 -45.09 55.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.437 ' HG2' HG21 ' A' ' 64' ' ' VAL . 9.4 mt-10 -60.79 -38.92 86.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -65.25 -30.73 71.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.493 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 26.3 mm-40 -79.74 -34.38 40.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.951 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.481 HD11 ' CB ' ' A' ' 57' ' ' SER . 91.7 mt -76.68 -51.59 11.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.5 mt -57.66 -17.78 16.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.97 ' CD2' HD21 ' A' ' 111' ' ' LEU . 6.4 t80 -39.77 144.48 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' GLU . 4.7 t -58.93 -67.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.853 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.439 ' HB2' ' CD2' ' A' ' 111' ' ' LEU . 36.1 mm-40 -35.8 -38.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 82.8 m-20 -76.67 143.61 39.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -132.24 171.5 13.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.626 HG23 ' HA ' ' A' ' 60' ' ' ASP . 7.4 m -37.25 115.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.67 -35.46 2.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.526 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -40.65 118.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.783 0.325 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.797 ' HB3' HG22 ' A' ' 58' ' ' VAL . 45.1 p90 -126.3 146.78 49.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.566 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.8 pp -153.07 131.07 11.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.416 HG21 HD22 ' A' ' 88' ' ' LEU . 3.8 mp -103.43 139.64 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.7 ptt85 -132.01 172.99 11.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.446 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 18.1 mt-10 -96.47 121.05 37.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 p -43.07 157.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.32 162.68 13.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.6 m 47.2 32.22 2.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -173.29 147.36 1.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -118.33 124.93 48.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 126.25 -44.95 1.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.541 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -72.94 164.29 26.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.85 0.357 . . . . 0.0 110.849 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.446 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 78.5 m-85 -145.62 168.27 21.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 t -138.74 127.47 23.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.409 ' HB2' HD11 ' A' ' 69' ' ' ILE . 7.5 tp -98.26 114.83 27.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.823 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.481 ' CB ' HD11 ' A' ' 32' ' ' LEU . 15.6 m -107.91 117.23 33.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.78 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.797 HG22 ' HB3' ' A' ' 42' ' ' PHE . 25.4 t -119.71 144.56 27.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.627 HD11 ' HA2' ' A' ' 62' ' ' GLY . 41.2 tp -96.5 133.96 40.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.923 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.0 OUTLIER -135.1 79.88 1.81 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.789 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 73.51 31.54 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.627 ' HA2' HD11 ' A' ' 59' ' ' LEU . . . 101.44 -8.49 56.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.502 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.923 HG12 ' O ' ' A' ' 60' ' ' ASP . 11.5 p -98.24 131.47 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 111.185 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.437 HG21 ' HG2' ' A' ' 29' ' ' GLU . 62.0 t -99.55 109.34 24.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.496 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -92.09 114.35 26.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -88.64 113.1 23.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.681 ' CE1' HD23 ' A' ' 102' ' ' LEU . 83.0 m-85 -106.54 117.76 34.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.5 ttm-85 -67.7 125.41 26.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.81 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.415 HG12 HD13 ' A' ' 79' ' ' LEU . 61.0 mt -100.57 97.78 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.44 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 16.5 mtt85 -83.42 151.84 25.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.576 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 9.6 mtp-105 -116.59 153.3 32.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.734 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -104.42 -175.54 2.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.95 -15.93 14.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.37 -30.3 7.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -101.2 -117.55 4.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.472 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -154.78 -94.19 0.1 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.576 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 46.3 m-85 -118.18 143.64 46.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.862 0.363 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.734 ' CE1' HD11 ' A' ' 72' ' ' LEU . 7.3 p90 -153.41 132.73 12.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' A' ' 67' ' ' TYR . 11.7 tp -89.81 -18.72 25.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.0 t -155.54 131.27 9.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -44.45 -24.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -60.12 -44.09 95.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 84' ' ' VAL . 50.7 tptt -130.51 155.2 46.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.447 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 85.8 t -143.96 146.88 20.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.15 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.565 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 26.7 m-85 -125.08 177.42 6.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.3 m -104.54 -43.56 5.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 57.2 p -135.28 152.28 51.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.133 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.997 HD12 HD11 ' A' ' 13' ' ' LEU . 84.5 mt -43.16 -27.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.81 -64.26 1.01 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -61.66 -21.94 64.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.565 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 4.0 t80 -64.22 -40.06 95.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.696 HG11 ' CE2' ' A' ' 42' ' ' PHE . 85.0 t -92.59 -39.97 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.493 ' ND2' ' C ' ' A' ' 93' ' ' ASN . 0.1 OUTLIER -57.44 -12.2 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -93.72 -68.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.498 ' O ' ' N ' ' A' ' 98' ' ' THR . 30.3 m-85 -45.51 -42.01 10.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.899 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 95' ' ' TYR . 1.5 p -37.42 -33.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.147 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.2 p -79.37 -40.51 30.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.635 HG23 ' OD2' ' A' ' 100' ' ' ASP . 13.7 t -151.7 154.06 35.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.4 p -73.49 -27.79 61.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.635 ' OD2' HG23 ' A' ' 98' ' ' THR . 8.6 m-20 58.36 26.02 13.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.823 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 114.53 -20.25 15.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.453 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.681 HD23 ' CE1' ' A' ' 67' ' ' TYR . 2.5 mt -61.14 135.25 57.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.783 0.325 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 102' ' ' LEU . 86.7 m -33.39 -41.38 0.08 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.428 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 0.9 OUTLIER -144.65 152.69 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.428 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 27.7 ttpt -87.25 129.16 35.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.418 HD12 ' HB2' ' A' ' 95' ' ' TYR . 24.0 mt -54.92 117.1 3.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.401 ' C ' ' HG2' ' A' ' 108' ' ' LYS . 13.3 mm-40 -96.39 -55.44 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.403 ' C ' ' CE1' ' A' ' 42' ' ' PHE . 9.6 mmtp -149.76 152.74 35.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.583 0.706 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 154.02 68.41 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 15.2 t -65.14 164.83 12.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.97 HD21 ' CD2' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -104.74 157.07 17.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.482 ' N ' HD12 ' A' ' 111' ' ' LEU . 85.3 mttt -105.14 138.51 41.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 16.6 mm -71.19 137.66 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 115' ' ' VAL . 41.0 mt-30 -113.31 99.17 7.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 114' ' ' GLN . 0.9 OUTLIER -37.96 142.0 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.9 p -124.07 84.79 2.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.804 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 108.97 -175.21 19.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 119' ' ' SER . 53.5 Cg_endo -69.77 -23.65 30.52 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.37 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 118' ' ' PRO . 6.0 t -34.49 143.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.9 m -142.61 133.57 25.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 t -127.36 129.84 48.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.901 0.381 . . . . 0.0 110.851 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.6 m -59.21 -55.61 32.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.82 -148.79 19.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.456 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 6' ' ' SER . 1.9 t 44.12 42.51 4.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.825 0.345 . . . . 0.0 110.802 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 5' ' ' SER . 13.0 t 35.27 40.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.837 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.24 144.22 0.23 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.522 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.22 131.26 55.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 111.085 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -54.43 -61.32 2.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -77.38 133.11 38.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -128.18 -54.24 1.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -63.6 -13.89 46.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.578 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.7 tt -57.01 -24.44 53.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 4.9 pt20 -59.69 -30.9 69.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.43 ' N ' ' HG3' ' A' ' 14' ' ' GLN . . . -61.64 -32.02 72.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -51.41 130.77 34.17 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.68 0.752 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.428 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 53.0 Cg_endo -69.83 -44.08 2.24 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.485 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 21.5 p-90 -69.72 -11.42 60.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.481 ' CD2' HD22 ' A' ' 13' ' ' LEU . 13.3 t80 -89.79 111.19 22.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.703 ' O ' HG23 ' A' ' 23' ' ' ILE . 5.6 m-85 -114.04 41.66 2.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 37.8 -143.87 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.533 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.61 106.96 18.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.713 HD11 ' HB2' ' A' ' 28' ' ' ALA . 19.4 pt -134.26 171.71 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -100.52 153.79 19.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -46.36 -30.76 2.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.16 -44.97 86.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -70.88 -39.88 72.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.713 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -69.94 -41.43 74.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.566 ' HG2' HG21 ' A' ' 64' ' ' VAL . 20.6 mt-10 -60.81 -68.0 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 29' ' ' GLU . 14.5 mtpp -37.12 -37.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -68.98 -42.83 76.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.922 HD12 HG13 ' A' ' 64' ' ' VAL . 78.1 mt -71.43 -42.37 68.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.549 HD21 ' CG2' ' A' ' 64' ' ' VAL . 4.5 mm? -65.15 -20.31 66.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -38.59 154.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.9 m -69.77 -59.11 3.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.837 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -43.99 -37.04 2.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -81.8 146.29 29.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.472 ' C ' HD23 ' A' ' 59' ' ' LEU . 18.6 mt-30 -139.34 175.15 9.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.569 HG23 ' HA ' ' A' ' 60' ' ' ASP . 67.3 m -36.27 116.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.19 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.53 -36.82 2.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.406 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -45.1 117.02 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.83 ' CE2' HG11 ' A' ' 92' ' ' VAL . 35.3 p90 -121.31 159.34 26.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.529 HD21 ' HB1' ' A' ' 28' ' ' ALA . 0.8 OUTLIER -163.96 133.07 3.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.0 mp -104.34 139.4 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.076 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 57' ' ' SER . 2.9 ptt-85 -136.82 160.65 38.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.568 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 1.9 mp0 -81.91 142.91 32.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.3 t -79.65 88.18 5.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -37.81 -44.52 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.7 t -52.22 -58.6 6.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -128.01 99.19 5.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -46.95 172.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.97 -38.12 2.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.459 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -78.9 173.63 12.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.34 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 91.4 m-85 -153.29 147.85 26.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.447 ' O ' ' NH1' ' A' ' 45' ' ' ARG . 2.1 t -119.56 132.66 55.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.683 ' HB2' HD11 ' A' ' 69' ' ' ILE . 9.6 tp -97.66 110.71 23.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -101.21 113.33 26.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.681 HG22 ' HB3' ' A' ' 42' ' ' PHE . 15.2 t -118.67 149.57 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.582 HD11 ' HA2' ' A' ' 62' ' ' GLY . 7.2 tp -102.38 134.51 45.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.968 ' O ' HG12 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -133.37 84.78 2.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.872 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 71.58 28.7 2.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.582 ' HA2' HD11 ' A' ' 59' ' ' LEU . . . 100.93 -3.28 55.71 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.497 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.968 HG12 ' O ' ' A' ' 60' ' ' ASP . 10.4 p -99.63 125.54 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.91 0.386 . . . . 0.0 111.095 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.922 HG13 HD12 ' A' ' 32' ' ' LEU . 17.0 t -88.76 98.11 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.51 ' O ' ' CE1' ' A' ' 67' ' ' TYR . 6.5 mttm -94.39 105.53 17.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.425 ' CD2' ' H ' ' A' ' 66' ' ' HIS . 2.4 m-70 -83.82 135.68 34.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.848 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.51 ' CE1' ' O ' ' A' ' 65' ' ' LYS . 47.2 m-85 -126.32 113.95 17.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.57 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -61.58 139.7 58.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.683 HD11 ' HB2' ' A' ' 56' ' ' LEU . 56.2 mt -118.56 101.8 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -79.44 165.22 23.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -125.72 154.72 42.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.544 HD21 ' CD1' ' A' ' 78' ' ' PHE . 2.9 mm? -95.33 -175.37 3.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.67 -34.97 52.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -65.87 -32.28 73.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.53 31.48 1.97 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.491 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -113.62 141.19 16.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -90.61 139.35 30.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.637 ' HB3' HG13 ' A' ' 84' ' ' VAL . 6.4 p90 -152.05 128.87 10.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 68' ' ' ARG . 9.5 tp -85.46 -24.88 27.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.1 t -143.03 136.78 28.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.437 ' HD3' ' CE2' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -55.28 -13.01 1.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -70.19 -27.0 64.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -153.7 144.41 22.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.637 HG13 ' HB3' ' A' ' 78' ' ' PHE . 97.6 t -132.08 137.0 55.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.515 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 31.1 m-85 -108.71 -176.57 3.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.5 m -102.83 -52.84 2.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.0 p -132.13 160.67 35.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.485 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 83.5 mt -46.5 -25.84 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -61.58 -69.2 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.957 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -58.15 -21.96 49.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.515 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 2.9 t80 -63.82 -41.69 97.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.83 HG11 ' CE2' ' A' ' 42' ' ' PHE . 92.4 t -92.67 -37.52 8.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.429 ' ND2' ' C ' ' A' ' 93' ' ' ASN . 0.1 OUTLIER -58.64 -22.24 56.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -87.62 -63.74 1.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -48.42 -36.99 15.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -48.96 -30.01 5.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.5 p -86.08 -23.51 26.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.171 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.425 ' N ' ' HD2' ' A' ' 105' ' ' LYS . 9.1 t -161.98 139.88 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.5 p -67.89 -33.02 73.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 39.0 t70 57.33 43.39 23.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.93 -33.24 6.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 103' ' ' CYS . 4.1 mt -48.75 133.0 17.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 102' ' ' LEU . 4.5 m -34.42 -42.26 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.495 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.3 p -143.31 158.13 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.082 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.495 ' N ' HG22 ' A' ' 104' ' ' VAL . 19.7 ttpp -91.35 125.99 36.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.442 ' CD2' HG21 ' A' ' 58' ' ' VAL . 24.5 mt -52.66 116.66 2.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -93.22 -71.04 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -135.84 152.82 76.56 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.561 0.696 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 140.84 43.81 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.649 2.232 . . . . 0.0 112.363 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.5 t -52.38 167.59 0.13 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.4 mt -98.42 170.7 8.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -116.53 130.96 57.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.477 HG22 HG13 ' A' ' 115' ' ' VAL . 71.5 mt -97.7 142.22 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -122.72 96.63 5.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.477 HG13 HG22 ' A' ' 113' ' ' ILE . 34.6 m -112.4 -15.46 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 50.6 m -114.03 136.17 53.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -86.44 154.11 26.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.85 -24.25 29.49 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.299 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 t -112.82 128.06 56.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.809 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.3 m -97.88 122.45 41.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.825 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.6 p -76.43 157.73 32.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.86 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.0 m -111.88 -46.03 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.6 -93.74 1.68 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.8 p -64.1 151.04 44.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 0.0 110.918 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.0 m -88.44 149.25 23.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.91 77.6 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.541 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -149.01 149.53 31.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.728 0.299 . . . . 0.0 111.115 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.3 mp0 -55.3 -47.03 76.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.68 87.82 7.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -111.9 -68.11 0.95 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.8 p -51.74 -35.67 44.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.427 HD21 ' HB2' ' A' ' 88' ' ' LEU . 3.4 mt -49.7 -28.15 5.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -51.61 -17.31 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.56 -28.34 23.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -62.22 131.28 93.54 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.628 0.728 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -46.17 1.33 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.8 p-90 -62.82 -16.65 59.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -85.91 110.67 19.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.617 ' O ' HG23 ' A' ' 23' ' ' ILE . 7.2 m-85 -110.04 40.91 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 47.42 -122.72 7.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.51 102.19 9.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.702 0.287 . . . . 0.0 111.094 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.617 HG23 ' O ' ' A' ' 20' ' ' PHE . 9.4 pt -128.72 163.05 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.152 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.3 168.14 14.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 4.2 ptm180 -58.59 -35.72 72.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.415 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -61.26 -43.72 98.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -70.5 -41.78 72.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.542 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -70.11 -33.68 72.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.617 ' HG2' HG11 ' A' ' 64' ' ' VAL . 20.9 mt-10 -70.37 -61.03 1.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -46.56 -40.03 12.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.822 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.487 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 16.1 mm-40 -66.44 -30.68 71.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.574 HD11 ' C ' ' A' ' 57' ' ' SER . 14.3 mt -80.52 -50.72 9.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.419 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 6.6 mt -59.8 -16.62 29.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.575 ' CD1' HD11 ' A' ' 113' ' ' ILE . 8.5 t80 -36.87 153.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.1 t -68.85 -66.77 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.829 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -40.58 -29.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.945 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 88.6 m-20 -85.63 148.63 25.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.651 ' C ' HD23 ' A' ' 59' ' ' LEU . 6.0 pt20 -138.14 -179.28 5.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.405 ' N ' ' HG3' ' A' ' 38' ' ' GLN . 97.6 m -46.61 113.18 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.02 -35.56 2.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.526 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 108' ' ' LYS . . . -47.33 115.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 0.0 111.105 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.799 ' CE2' HG11 ' A' ' 92' ' ' VAL . 39.5 p90 -119.72 158.38 26.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.503 ' C ' HD12 ' A' ' 43' ' ' LEU . 0.8 OUTLIER -163.94 132.37 3.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -104.05 148.23 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.064 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 57' ' ' SER . 6.7 ptt-85 -146.29 164.15 33.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.441 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 27.0 mt-10 -82.28 125.51 31.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.0 m -57.86 112.31 1.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -55.65 163.52 1.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.3 t 57.86 25.33 11.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -165.07 164.91 20.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.1 tptp -131.26 113.75 14.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.426 ' HA3' ' NH1' ' A' ' 71' ' ' ARG . . . 121.07 -44.23 1.4 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.53 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.7 156.68 34.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.352 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.441 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 83.2 m-85 -139.52 163.6 32.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.414 ' O ' ' NH1' ' A' ' 45' ' ' ARG . 67.0 m -135.66 132.85 37.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.892 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.8 tp -99.6 118.81 36.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.574 ' C ' HD11 ' A' ' 32' ' ' LEU . 1.1 t -110.28 115.41 29.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.663 HG22 ' HB3' ' A' ' 42' ' ' PHE . 24.1 t -121.71 153.11 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.148 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.651 HD23 ' C ' ' A' ' 38' ' ' GLN . 11.6 tp -100.23 129.53 46.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.951 ' O ' HG12 ' A' ' 63' ' ' VAL . 4.0 t70 -134.43 85.16 2.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 71.05 50.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.419 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 77.68 -6.49 46.46 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.472 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.951 HG12 ' O ' ' A' ' 60' ' ' ASP . 2.8 p -98.0 156.93 3.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.811 0.339 . . . . 0.0 111.182 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.617 HG11 ' HG2' ' A' ' 29' ' ' GLU . 87.2 t -116.06 108.21 24.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -87.62 105.45 17.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.89 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -83.52 110.44 18.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.621 ' HB3' HD11 ' A' ' 79' ' ' LEU . 81.3 m-85 -107.26 122.37 46.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.929 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -73.07 126.71 30.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 41.4 mt -98.75 103.73 15.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.35 147.42 24.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.58 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 35.2 mtp180 -114.15 152.49 31.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.746 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -101.15 -176.51 3.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.92 -18.68 14.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -107.82 -31.99 7.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -101.8 -120.58 4.71 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -148.17 -99.91 0.23 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.58 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 30.3 m-85 -112.21 151.11 29.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.746 ' CE1' HD11 ' A' ' 72' ' ' LEU . 4.2 p90 -161.07 130.33 4.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.621 HD11 ' HB3' ' A' ' 67' ' ' TYR . 13.9 tp -91.98 -14.42 29.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.509 HG23 ' HG2' ' A' ' 82' ' ' ARG . 1.9 t -153.99 118.46 4.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 80' ' ' THR . 18.1 mmm180 -33.74 -44.9 0.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.529 ' CG ' ' N ' ' A' ' 83' ' ' LYS . 0.4 OUTLIER -42.76 -49.98 5.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.591 ' HE3' ' CE1' ' A' ' 94' ' ' TYR . 3.1 tppt? -118.91 155.32 31.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.447 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 64.3 t -147.53 138.63 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.549 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 23.2 m-85 -115.88 -177.61 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.8 m -110.3 -44.48 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.2 p -131.76 154.59 48.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.427 ' HB2' HD21 ' A' ' 13' ' ' LEU . 90.9 mt -47.21 -25.61 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -63.32 -61.8 2.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -64.67 -15.13 60.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.551 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.6 t80 -71.21 -40.52 71.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.799 HG11 ' CE2' ' A' ' 42' ' ' PHE . 84.1 t -92.0 -36.21 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -60.46 -13.42 13.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.591 ' CE1' ' HE3' ' A' ' 83' ' ' LYS . 32.6 t80 -93.29 -63.17 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.434 ' CD1' HD12 ' A' ' 102' ' ' LEU . 51.1 m-85 -54.28 -27.57 36.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.54 -14.25 1.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.191 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.406 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 2.2 p -101.95 -29.79 11.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.204 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.2 t -156.87 152.55 26.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.493 ' HB3' ' CA ' ' A' ' 105' ' ' LYS . 88.1 p -102.91 31.79 4.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.826 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 99' ' ' SER . 16.2 m-20 -34.15 102.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.5 -44.77 3.07 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.434 HD12 ' CD1' ' A' ' 95' ' ' TYR . 3.0 mt -60.05 149.76 31.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.804 0.335 . . . . 0.0 110.899 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 35.8 t -62.25 -36.74 82.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.495 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.3 p -141.65 158.33 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.495 ' N ' HG22 ' A' ' 104' ' ' VAL . 23.9 ttpt -92.62 128.81 38.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 16.8 mt -57.86 110.66 0.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.007 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -93.94 -53.58 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.43 ' C ' ' CE1' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -144.11 154.8 58.32 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.582 0.706 . . . . 0.0 110.815 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 164.9 32.82 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.732 2.288 . . . . 0.0 112.323 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.475 ' CB ' ' HB3' ' A' ' 43' ' ' LEU . 42.2 t -78.01 150.21 33.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.7 mt -82.33 173.85 11.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.583 ' HG3' ' CE2' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -121.9 136.28 54.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.575 HD11 ' CD1' ' A' ' 34' ' ' TYR . 60.1 mt -101.39 150.49 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.7 104.74 2.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.965 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 116' ' ' SER . 28.9 m -103.02 -39.25 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.187 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 115' ' ' VAL . 65.9 p -34.63 -44.55 0.21 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.787 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 151.52 146.19 4.29 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 96.65 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.659 2.239 . . . . 0.0 112.36 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 26.4 p -117.11 106.34 13.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 68.5 m -84.7 128.52 34.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.428 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -117.83 169.39 9.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 110.841 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.7 m -141.95 167.83 21.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.17 139.67 6.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.505 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.0 m -161.19 146.95 14.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.353 . . . . 0.0 110.85 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -134.67 157.54 46.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.96 120.97 2.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -173.67 164.63 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.066 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -91.3 -57.12 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -77.19 151.25 35.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.5 mtm-85 -126.76 -61.4 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.8 p -52.84 -26.38 14.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.5 tt -51.28 -24.69 4.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -55.89 -26.61 48.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.92 -28.62 67.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -53.83 134.48 56.58 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.727 0.775 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HA ' ' NZ ' ' A' ' 112' ' ' LYS . 53.3 Cg_endo -69.81 -46.09 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.741 2.294 . . . . 0.0 112.292 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.439 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 21.3 p-90 -69.07 -14.91 63.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.956 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.448 ' CG ' HD22 ' A' ' 13' ' ' LEU . 14.3 t80 -87.53 115.12 24.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.434 ' O ' HG23 ' A' ' 23' ' ' ILE . 11.0 m-85 -113.68 29.65 7.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.09 -121.2 25.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.7 103.43 10.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.32 . . . . 0.0 111.186 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.506 HD11 ' HB2' ' A' ' 28' ' ' ALA . 17.5 pt -132.64 163.55 37.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -92.45 161.76 14.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -52.71 -34.46 52.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.99 -46.26 88.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.075 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -69.73 -40.75 76.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.506 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -65.04 -46.59 80.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.866 ' HG2' HG21 ' A' ' 64' ' ' VAL . 19.8 mt-10 -56.07 -59.79 4.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -38.94 -39.55 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -70.76 -37.14 73.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.507 HD12 HG13 ' A' ' 64' ' ' VAL . 59.7 mt -73.59 -51.32 17.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.435 HD11 ' O ' ' A' ' 62' ' ' GLY . 3.9 mm? -58.96 -18.5 34.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.796 ' CE1' HD12 ' A' ' 113' ' ' ILE . 3.7 t80 -36.27 152.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.4 t -72.94 -57.72 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -47.87 -31.48 5.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.436 ' OD1' HD23 ' A' ' 111' ' ' LEU . 88.4 m-20 -84.62 144.04 28.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -131.76 -179.44 5.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.2 m -44.54 114.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.78 -32.24 3.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.31 121.45 5.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.767 0.317 . . . . 0.0 111.052 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.811 ' HB3' HG22 ' A' ' 58' ' ' VAL . 35.9 p90 -127.18 161.34 28.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.595 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.5 pp -168.25 129.89 1.39 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.4 mp -100.01 149.07 6.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 ptt85 -142.73 160.98 39.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -79.55 125.43 29.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.4 t -54.73 102.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.795 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.2 pm0 -55.61 -25.7 40.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 74.3 m -70.67 -53.17 16.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.78 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -132.64 120.85 22.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 52' ' ' GLY . 11.4 tppt? -60.52 154.47 20.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.427 ' N ' ' HG3' ' A' ' 51' ' ' LYS . . . 95.66 -41.07 2.52 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.461 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -76.09 179.9 5.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.777 0.322 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -152.74 156.91 40.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.789 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 m -129.65 123.99 32.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.824 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.5 tp -93.2 121.88 35.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.457 ' C ' HD11 ' A' ' 32' ' ' LEU . 16.8 m -114.06 109.5 18.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.811 HG22 ' HB3' ' A' ' 42' ' ' PHE . 46.9 t -113.24 154.64 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.45 HD11 ' HA2' ' A' ' 62' ' ' GLY . 22.1 tp -103.09 131.87 49.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.956 ' O ' HG12 ' A' ' 63' ' ' VAL . 2.1 t70 -134.78 81.82 1.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 71.14 42.27 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.45 ' HA2' HD11 ' A' ' 59' ' ' LEU . . . 89.2 -10.3 73.6 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.447 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.956 HG12 ' O ' ' A' ' 60' ' ' ASP . 6.4 p -94.07 150.9 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 111.096 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.866 HG21 ' HG2' ' A' ' 29' ' ' GLU . 55.0 t -113.14 109.95 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.586 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -90.9 107.89 19.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -83.44 110.28 18.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.822 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.595 ' HB3' HD11 ' A' ' 79' ' ' LEU . 83.1 m-85 -107.72 116.37 31.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -69.94 130.88 43.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.2 mt -103.3 99.7 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.465 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 27.6 mtp180 -83.32 152.44 25.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.461 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 8.6 mtp-105 -116.99 151.04 37.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.682 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.9 OUTLIER -102.78 178.71 4.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.14 -2.33 24.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.779 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -124.79 -24.47 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.2 -105.33 2.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.547 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.11 -94.3 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.461 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 35.4 m-85 -118.06 141.65 48.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.979 0.418 . . . . 0.0 110.848 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.709 ' CB ' HG22 ' A' ' 84' ' ' VAL . 6.4 p90 -153.2 130.87 11.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.595 HD11 ' HB3' ' A' ' 67' ' ' TYR . 12.6 tp -87.44 -25.45 23.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.428 HG23 ' H ' ' A' ' 83' ' ' LYS . 5.5 t -145.77 129.4 17.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.7 tpt85 -46.0 -21.95 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -65.72 -39.75 91.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.596 ' HD2' ' CZ ' ' A' ' 85' ' ' PHE . 6.8 tmtm? -135.37 142.53 45.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.709 HG22 ' CB ' ' A' ' 78' ' ' PHE . 48.3 t -130.51 154.35 40.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.596 ' CZ ' ' HD2' ' A' ' 83' ' ' LYS . 39.2 m-85 -128.26 179.2 5.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.7 m -102.03 -50.23 3.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 89' ' ' ASN . 68.6 p -133.15 154.32 50.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.197 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.439 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 84.8 mt -42.72 -24.91 0.07 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 87' ' ' THR . 2.5 t-20 -62.59 -67.44 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.916 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -60.72 -14.58 21.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.53 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.9 t80 -71.41 -38.42 71.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.842 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.77 HG11 ' CE2' ' A' ' 42' ' ' PHE . 95.1 t -92.78 -37.59 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.124 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.474 ' ND2' ' C ' ' A' ' 93' ' ' ASN . 0.1 OUTLIER -60.67 -9.83 4.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.525 ' O ' HG23 ' A' ' 97' ' ' THR . 47.8 t80 -94.52 -69.19 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.596 ' CD1' HD12 ' A' ' 102' ' ' LEU . 44.1 m-85 -49.98 -27.13 4.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 92' ' ' VAL . 5.7 p -52.47 -18.51 1.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 94' ' ' TYR . 2.8 p -92.22 -40.16 11.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.7 t -153.12 161.02 42.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 101' ' ' GLY . 24.3 p -103.17 34.0 3.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 99' ' ' SER . 23.6 m-20 -37.12 93.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 97.1 -40.72 2.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.489 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.596 HD12 ' CD1' ' A' ' 95' ' ' TYR . 3.0 mt -66.15 146.21 54.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.347 . . . . 0.0 110.953 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 43.9 t -55.91 -38.84 70.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.507 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.3 p -141.09 158.79 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.507 ' N ' HG22 ' A' ' 104' ' ' VAL . 18.1 ttpt -91.89 130.52 37.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.2 mt -58.77 115.47 3.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -93.56 -62.72 1.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -143.53 152.51 56.83 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.597 0.713 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 142.91 49.2 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.701 2.267 . . . . 0.0 112.297 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.4 t -49.11 170.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.776 HD21 ' CD2' ' A' ' 34' ' ' TYR . 1.4 pp -117.19 153.68 32.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.421 ' NZ ' ' HA ' ' A' ' 17' ' ' PRO . 1.8 mptt -90.74 130.36 36.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.796 HD12 ' CE1' ' A' ' 34' ' ' TYR . 20.3 mm -59.5 157.41 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.056 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.505 ' N ' HG22 ' A' ' 113' ' ' ILE . 12.3 mt-30 -118.86 105.08 11.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 80.5 t -67.03 -57.15 11.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.186 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 80.7 p -94.51 153.9 17.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 59.82 142.07 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -50.77 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.612 2.208 . . . . 0.0 112.357 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.5 t -172.8 177.96 2.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.8 p -74.4 -55.52 5.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.779 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.45 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.9 m -65.16 114.35 4.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.792 0.33 . . . . 0.0 110.821 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -79.31 88.58 4.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.95 49.77 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.481 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 t -103.4 98.53 8.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.911 0.386 . . . . 0.0 110.833 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -156.25 172.14 18.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.52 96.91 1.63 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -168.84 143.73 3.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.76 0.314 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -50.28 -55.66 14.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.443 ' C ' ' OD1' ' A' ' 10' ' ' ASP . 0.9 OUTLIER -64.26 100.76 0.36 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -126.69 -62.77 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.0 p -60.94 -24.68 66.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.6 tt -49.31 -26.41 3.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -56.89 -33.18 66.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.74 -31.36 70.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -49.16 131.29 16.38 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.722 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -45.49 1.57 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.718 2.279 . . . . 0.0 112.256 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.429 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 18.9 p-90 -70.0 -10.08 57.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.967 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.517 ' CD2' HD22 ' A' ' 13' ' ' LEU . 12.7 t80 -92.31 115.55 28.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.601 ' O ' HG23 ' A' ' 23' ' ' ILE . 3.1 m-85 -115.11 40.96 2.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 46.05 -119.79 4.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.41 104.25 11.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 111.108 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.601 HG23 ' O ' ' A' ' 20' ' ' PHE . 18.9 pt -131.99 162.55 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.168 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -92.74 161.5 14.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.49 ' HB2' ' CE1' ' A' ' 66' ' ' HIS . 9.9 ptp180 -49.91 -34.4 20.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.49 -48.1 79.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 5.4 m-20 -65.13 -37.28 86.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.501 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -73.39 -38.86 65.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.513 ' HG2' HG21 ' A' ' 64' ' ' VAL . 11.9 mt-10 -62.93 -66.81 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -42.34 -32.76 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 15.7 mm-40 -73.49 -36.42 65.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.96 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.806 HD12 HG13 ' A' ' 64' ' ' VAL . 34.6 mt -76.73 -45.18 30.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.944 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.562 HD11 ' O ' ' A' ' 62' ' ' GLY . 4.0 mm? -63.59 -11.44 24.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -41.06 159.2 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.8 t -72.6 -59.46 2.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -49.78 -37.19 28.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -80.67 146.23 31.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.429 ' C ' HD23 ' A' ' 59' ' ' LEU . 1.3 pt20 -143.73 -177.54 5.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.4 m -38.95 115.39 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.75 -34.92 3.16 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.414 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.408 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -47.26 110.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 111.09 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.78 ' CE2' HG11 ' A' ' 92' ' ' VAL . 21.2 p90 -115.19 156.66 24.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.559 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.4 pp -166.78 131.1 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.406 HD13 ' CE3' ' A' ' 18' ' ' TRP . 3.7 mp -99.37 150.64 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 ptt85 -145.88 157.86 43.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.467 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 10.1 mt-10 -78.25 137.76 38.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.5 t -68.89 107.0 2.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -56.98 -40.5 76.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.9 t -59.51 -61.67 2.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -119.53 114.08 21.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.9 mtmm -59.03 156.26 12.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.3 -35.31 4.07 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.413 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -84.22 162.7 20.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.875 0.369 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.467 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 44.9 m-85 -138.69 164.5 29.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 t -134.69 130.28 36.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.7 tp -93.13 118.71 31.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.76 107.27 17.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.721 HG11 HG13 ' A' ' 104' ' ' VAL . 19.5 t -113.41 137.75 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.07 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.473 HD22 ' O ' ' A' ' 32' ' ' LEU . 25.0 tp -90.79 133.41 35.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.974 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.948 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.1 t70 -134.82 80.47 1.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 72.46 40.33 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.562 ' O ' HD11 ' A' ' 33' ' ' LEU . . . 92.3 -11.2 72.69 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.948 HG12 ' O ' ' A' ' 60' ' ' ASP . 9.7 p -92.5 140.39 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.842 0.353 . . . . 0.0 111.148 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.806 HG13 HD12 ' A' ' 32' ' ' LEU . 17.2 t -108.11 106.8 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.163 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.445 ' HE3' HG11 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -90.81 108.14 19.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.929 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.49 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 76.4 m-70 -83.74 111.63 19.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.644 ' HB3' HD11 ' A' ' 79' ' ' LEU . 70.8 m-85 -107.19 109.84 21.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.951 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.51 107.74 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.1 mt -74.03 98.52 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.432 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 11.0 mmm180 -73.4 154.09 40.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.582 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 12.8 mtp-105 -129.7 147.89 51.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.523 HD11 ' CE2' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -97.91 179.38 4.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -106.36 -2.49 22.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -126.32 -26.49 3.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.986 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.83 -116.99 4.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.541 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -146.61 -98.96 0.23 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.582 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 48.6 m-85 -117.88 156.76 27.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.523 ' CE2' HD11 ' A' ' 72' ' ' LEU . 2.5 p90 -161.99 129.28 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.644 HD11 ' HB3' ' A' ' 67' ' ' TYR . 11.2 tp -87.26 -21.75 25.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.8 t -147.65 149.9 33.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 20.4 mmm-85 -66.55 -4.8 9.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -99.0 12.45 35.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.456 ' HE2' ' CD2' ' A' ' 94' ' ' TYR . 16.7 tptt -167.54 155.46 9.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.454 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 97.2 t -158.1 143.98 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.415 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 26.0 m-85 -124.24 -174.95 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.9 m -108.28 -39.41 5.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 66.7 p -137.94 154.81 49.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.441 HD12 HD11 ' A' ' 13' ' ' LEU . 94.3 mt -48.91 -26.87 2.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -64.1 -62.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.501 ' HA ' ' ND2' ' A' ' 93' ' ' ASN . 10.0 mt-10 -62.13 -10.08 9.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.591 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 0.4 OUTLIER -80.57 -32.07 36.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.78 HG11 ' CE2' ' A' ' 42' ' ' PHE . 89.7 t -92.69 -33.9 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.501 ' ND2' ' HA ' ' A' ' 90' ' ' GLU . 22.7 p30 -66.39 -15.36 63.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.471 ' N ' ' OD1' ' A' ' 93' ' ' ASN . 13.3 t80 -87.74 -49.2 7.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -75.3 -4.05 36.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 92' ' ' VAL . 0.8 OUTLIER -76.12 -17.2 59.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 35.0 p -102.62 -21.15 14.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.5 t -164.98 149.95 9.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.162 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.0 p -87.54 -25.28 23.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.1 p30 43.74 48.72 6.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 102' ' ' LEU . . . 109.95 -48.14 0.97 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 103' ' ' CYS . 3.6 mt -37.66 133.2 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.752 0.311 . . . . 0.0 110.966 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.859 ' SG ' HG12 ' A' ' 104' ' ' VAL . 15.7 p -34.19 -39.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.859 HG12 ' SG ' ' A' ' 103' ' ' CYS . 2.4 p -150.89 159.91 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.534 ' N ' HG22 ' A' ' 104' ' ' VAL . 0.2 OUTLIER -90.15 128.83 36.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 21.5 mt -55.47 127.01 27.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -109.92 -67.51 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -136.86 151.12 71.74 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.54 0.686 . . . . 0.0 110.996 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 144.77 55.71 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.404 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 23.7 t -56.7 158.92 4.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.2 mt -86.27 163.57 17.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -117.66 97.25 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 58.6 mt -52.38 144.61 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.191 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -113.54 111.8 22.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -113.52 133.31 59.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.5 t -122.12 45.39 2.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 86.84 -154.41 26.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 119' ' ' SER . 54.6 Cg_endo -69.74 2.76 3.23 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.71 2.273 . . . . 0.0 112.361 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 118' ' ' PRO . 1.3 t -35.12 118.94 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.1 m -142.37 137.05 30.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.793 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.479 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p -130.7 129.78 43.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 110.855 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.1 m -46.41 -59.86 2.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.827 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.76 -163.39 31.73 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.455 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.4 p -83.51 177.43 8.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.882 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.3 p -168.21 121.46 0.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.9 95.82 0.71 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.53 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -172.05 135.72 0.82 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.785 0.326 . . . . 0.0 111.109 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -67.81 -24.07 65.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.52 123.02 47.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -121.44 -61.89 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.7 m -59.94 -17.91 41.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.7 tt -61.02 -23.95 65.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -58.62 -27.83 65.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.34 -28.12 65.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -49.1 133.82 15.59 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.636 0.732 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.402 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 54.1 Cg_endo -69.81 -42.25 3.52 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.7 2.267 . . . . 0.0 112.377 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.444 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 14.0 p-90 -73.05 -15.79 61.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.488 ' CD2' HD22 ' A' ' 13' ' ' LEU . 8.1 t80 -87.02 128.69 35.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.545 ' O ' HG23 ' A' ' 23' ' ' ILE . 11.5 m-85 -130.37 38.22 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 49.72 -123.76 14.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.4 103.62 10.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.78 0.324 . . . . 0.0 111.132 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.817 HD11 ' HB2' ' A' ' 28' ' ' ALA . 19.4 pt -127.32 173.34 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt -100.37 162.5 12.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.2 ptt-85 -53.05 -32.83 48.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.26 -46.66 69.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -67.92 -30.68 70.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.817 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -82.88 -36.25 25.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.599 ' HG2' HG21 ' A' ' 64' ' ' VAL . 27.7 mt-10 -69.04 -48.6 62.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 ptmm? -55.22 -43.61 74.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.425 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 6.0 mm100 -65.95 -32.65 74.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.8 mt -74.47 -55.75 5.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 10.1 mt -54.07 -20.17 6.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.923 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' A' ' 33' ' ' LEU . 9.8 t80 -35.05 152.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 36' ' ' GLU . 2.4 m -65.46 -71.39 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 35' ' ' SER . 35.6 mm-40 -34.16 -38.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 84.1 m-20 -78.56 142.7 37.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.465 ' C ' HD23 ' A' ' 59' ' ' LEU . 2.6 pm0 -136.16 177.64 7.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' GLN . 80.9 m -37.68 116.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.78 -36.76 2.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.11 113.53 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.846 ' CE2' HG11 ' A' ' 92' ' ' VAL . 18.0 p90 -120.4 156.08 32.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.42 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.3 pp -166.48 131.48 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 mp -100.63 143.64 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.18 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 ptt85 -139.42 157.38 45.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -83.15 140.01 32.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.444 ' HB3' ' CG ' ' A' ' 53' ' ' ASP . 0.9 OUTLIER -86.06 97.36 10.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.751 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 47' ' ' SER . 13.5 pt-20 -34.83 -36.03 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' SER . 38.5 m -40.24 -63.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.831 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.431 ' CG ' ' N ' ' A' ' 51' ' ' LYS . 30.7 tt0 -132.54 160.33 36.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.431 ' N ' ' CG ' ' A' ' 50' ' ' GLN . 10.1 tmtt? -84.43 134.98 34.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.593 ' O ' ' CE2' ' A' ' 54' ' ' PHE . . . 105.94 -36.54 4.33 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.454 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.444 ' CG ' ' HB3' ' A' ' 47' ' ' SER . 2.8 p30 -60.76 162.66 6.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.813 0.34 . . . . 0.0 110.906 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.593 ' CE2' ' O ' ' A' ' 52' ' ' GLY . 91.3 m-85 -152.18 153.98 34.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.1 m -133.43 125.8 29.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.801 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.442 HD23 HD21 ' A' ' 79' ' ' LEU . 10.4 tp -92.89 117.44 30.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.4 m -110.29 109.41 19.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.751 HG22 ' HB3' ' A' ' 42' ' ' PHE . 19.4 t -113.13 151.81 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.465 HD23 ' C ' ' A' ' 38' ' ' GLN . 25.2 tp -97.15 131.8 43.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.974 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.951 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.6 t70 -134.97 82.68 1.97 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.891 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 69.59 44.57 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.495 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 87.54 -11.19 66.78 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.485 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.951 HG12 ' O ' ' A' ' 60' ' ' ASP . 5.1 p -93.46 153.93 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 111.097 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.599 HG21 ' HG2' ' A' ' 29' ' ' GLU . 79.9 t -116.88 107.62 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.087 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -87.8 109.15 19.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -84.73 110.32 18.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 89.2 m-85 -106.43 114.84 29.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.1 tpp85 -67.62 120.51 14.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.471 HG12 HD13 ' A' ' 79' ' ' LEU . 58.8 mt -93.05 99.15 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.152 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 2.8 mmp_? -83.44 152.6 24.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.446 ' C ' HD13 ' A' ' 72' ' ' LEU . 6.8 mtp-105 -115.61 156.64 25.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.685 HD11 ' CD1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -105.41 -178.9 3.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -103.75 -6.16 21.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -125.32 -42.84 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.12 -108.8 0.5 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.523 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -163.91 -97.37 0.12 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.455 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.44 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 42.8 m-85 -115.2 143.01 45.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.685 ' CD1' HD11 ' A' ' 72' ' ' LEU . 7.4 p90 -151.98 131.7 13.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.471 HD13 HG12 ' A' ' 69' ' ' ILE . 12.1 tp -91.17 -15.27 29.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.476 HG23 ' H ' ' A' ' 83' ' ' LYS . 7.1 t -156.12 125.75 6.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -41.23 -27.48 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -59.14 -45.63 90.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.55 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 49.3 tptt -129.12 147.9 51.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.626 HG22 ' CB ' ' A' ' 78' ' ' PHE . 74.1 t -138.08 153.96 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.128 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.518 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 23.7 m-85 -131.42 -177.46 4.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 71.0 m -105.75 -52.16 2.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 52.9 p -123.6 160.55 26.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.192 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.444 ' HB3' ' CZ3' ' A' ' 18' ' ' TRP . 59.6 mt -52.01 -26.97 11.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -62.72 -59.86 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.816 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.18 -15.32 62.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.3 t80 -71.79 -41.78 67.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.846 HG11 ' CE2' ' A' ' 42' ' ' PHE . 96.9 t -91.84 -35.47 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -59.95 -12.45 7.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.55 ' CE2' ' HE2' ' A' ' 83' ' ' LYS . 34.9 t80 -96.04 -58.5 2.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.943 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -61.82 -16.31 48.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 92' ' ' VAL . 3.2 p -66.56 -16.98 64.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.8 p -92.53 -33.75 14.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.159 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.9 t -155.75 170.54 21.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 79.1 p -111.8 49.25 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -49.61 96.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.11 -44.34 2.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.476 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.46 HD23 ' CZ ' ' A' ' 67' ' ' TYR . 3.0 mt -57.88 149.66 22.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.34 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 55.8 m -60.55 -37.49 81.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.525 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.3 p -141.01 159.64 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.525 ' N ' HG22 ' A' ' 104' ' ' VAL . 12.2 ttmt -90.25 131.08 36.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 21.6 mt -59.16 116.31 3.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -96.72 -68.65 0.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -137.01 151.22 71.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.549 0.69 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 144.8 55.64 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.723 2.282 . . . . 0.0 112.396 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 43.4 t -60.91 144.12 53.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.1 mt -63.22 151.38 40.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -102.99 88.3 3.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.534 ' H ' HD12 ' A' ' 113' ' ' ILE . 4.8 mp -83.56 146.76 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 115' ' ' VAL . 4.3 pt20 -106.61 48.66 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.627 ' O ' HG22 ' A' ' 115' ' ' VAL . 12.5 p 33.76 45.18 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 17.9 t -103.92 103.95 13.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 164.52 139.59 2.67 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 119' ' ' SER . 53.6 Cg_endo -69.78 1.95 3.99 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.678 2.252 . . . . 0.0 112.308 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 118' ' ' PRO . 2.7 m -36.09 126.45 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 41.2 m -53.6 144.65 16.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 -179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -89.47 159.06 17.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 0.0 110.855 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.7 t -52.82 150.2 5.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -90.26 163.37 30.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.542 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 4' ' ' GLY . 75.3 p 36.13 41.37 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.837 0.351 . . . . 0.0 110.868 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -114.46 117.67 31.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.81 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 8' ' ' ALA . . . 151.29 -176.32 29.81 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -35.15 131.38 0.42 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.772 0.32 . . . . 0.0 111.131 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -85.41 77.89 9.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -120.68 119.81 33.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 ptt85 -132.54 -53.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.9 p -50.59 -24.77 3.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.8 tt -49.71 -25.57 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 4.9 pt20 -57.17 -32.23 66.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.429 ' N ' ' HG3' ' A' ' 14' ' ' GLN . . . -61.33 -28.46 69.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -54.6 131.66 64.2 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.615 0.722 . . . . 0.0 110.942 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 -46.95 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.652 2.235 . . . . 0.0 112.329 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.463 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 13.9 p-90 -67.1 -8.39 30.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.442 ' CD2' HD22 ' A' ' 13' ' ' LEU . 9.7 t80 -93.11 112.87 24.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.577 ' O ' HG23 ' A' ' 23' ' ' ILE . 16.9 m-85 -114.18 30.77 7.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 49.83 -139.78 17.31 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.418 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.51 108.97 20.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.763 0.316 . . . . 0.0 111.094 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.747 HD11 ' HB2' ' A' ' 28' ' ' ALA . 16.8 pt -138.24 163.67 28.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -94.84 155.8 16.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -47.24 -31.28 3.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.29 -44.04 84.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -68.03 -43.67 78.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.747 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -68.77 -46.99 67.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.432 ' HA ' HG21 ' A' ' 64' ' ' VAL . 11.4 mt-10 -58.65 -35.05 71.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -67.38 -41.51 84.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.476 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 19.4 mm-40 -71.51 -32.58 68.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.441 HD22 ' O ' ' A' ' 41' ' ' ALA . 86.4 mt -76.9 -53.42 7.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 18.2 mt -58.38 -12.87 4.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -41.33 158.15 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.1 t -71.0 -60.6 2.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -46.03 -33.16 3.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 86.6 m-20 -83.72 149.79 26.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.456 ' C ' HD23 ' A' ' 59' ' ' LEU . 8.2 pt20 -146.8 -179.34 6.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 38' ' ' GLN . 85.9 m -35.98 117.36 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.138 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.64 -37.81 2.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.441 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -42.32 113.09 0.41 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.79 0.329 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.707 ' CB ' HG22 ' A' ' 58' ' ' VAL . 24.3 p90 -119.11 162.03 19.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.465 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.0 OUTLIER -171.02 126.83 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.0 mp -99.04 137.25 27.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.0 ptt85 -131.63 166.56 21.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.464 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 9.1 mt-10 -87.11 128.11 35.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.7 t -63.42 118.21 7.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -65.2 -47.39 77.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.3 t -46.95 -70.44 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -110.51 105.14 13.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -50.59 147.24 4.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.52 -42.68 1.9 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.502 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.52 173.13 2.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.903 0.383 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.464 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 87.4 m-85 -146.68 147.53 31.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.0 m -122.31 126.7 48.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.628 ' HB2' HD11 ' A' ' 69' ' ' ILE . 6.4 tp -95.48 112.44 24.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.988 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.1 m -105.45 122.22 45.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.707 HG22 ' CB ' ' A' ' 42' ' ' PHE . 16.6 t -127.82 142.92 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.666 HD11 ' HA2' ' A' ' 62' ' ' GLY . 49.5 tp -89.97 135.98 33.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.974 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.489 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.1 t70 -134.94 77.27 1.67 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.814 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 74.98 25.03 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.666 ' HA2' HD11 ' A' ' 59' ' ' LEU . . . 110.79 -14.2 29.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.464 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 60' ' ' ASP . 3.0 p -99.65 130.22 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.118 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.432 HG21 ' HA ' ' A' ' 29' ' ' GLU . 70.8 t -94.23 110.85 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.597 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -87.33 108.08 18.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -83.48 112.18 19.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.597 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 88.0 m-85 -106.49 125.68 51.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.4 ttm-85 -72.85 123.74 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.628 HD11 ' HB2' ' A' ' 56' ' ' LEU . 56.9 mt -102.03 98.11 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.474 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 98.3 mtt180 -80.86 156.44 26.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.958 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.502 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 5.2 mtp-105 -120.38 148.94 43.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.611 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.6 OUTLIER -97.9 -178.63 4.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.949 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -108.65 -6.99 15.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -119.94 -22.61 6.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -111.45 -115.34 3.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.452 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -149.86 -94.55 0.12 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.441 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.502 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 32.8 m-85 -120.62 151.07 39.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 0.0 110.887 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.611 ' CE1' HD11 ' A' ' 72' ' ' LEU . 7.7 p90 -156.79 130.32 8.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.484 HD11 ' HB3' ' A' ' 67' ' ' TYR . 12.1 tp -86.7 -24.21 25.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.5 ' CG2' ' HG2' ' A' ' 82' ' ' ARG . 10.0 t -145.77 143.4 29.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.533 ' HD3' ' CE2' ' A' ' 78' ' ' PHE . 18.0 mmt180 -59.55 -13.58 9.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.5 ' HG2' ' CG2' ' A' ' 80' ' ' THR . 3.1 ptp180 -86.12 -0.22 55.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.517 ' HE2' ' CZ ' ' A' ' 94' ' ' TYR . 15.0 mmmt -155.94 161.05 40.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 83' ' ' LYS . 92.7 t -161.0 137.15 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.517 ' CG ' ' HA ' ' A' ' 91' ' ' PHE . 24.0 m-85 -120.16 -177.03 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.1 m -104.42 -52.5 2.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 47.1 p -128.64 155.86 44.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.492 HD12 HD11 ' A' ' 13' ' ' LEU . 84.6 mt -45.18 -26.39 0.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -62.34 -68.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -56.94 -25.85 58.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.559 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.1 t80 -62.33 -38.2 88.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 70.6 t -92.46 -39.91 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.041 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -54.77 -25.32 27.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.517 ' CZ ' ' HE2' ' A' ' 83' ' ' LYS . 33.7 t80 -80.02 -60.26 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.43 ' O ' ' N ' ' A' ' 98' ' ' THR . 43.5 m-85 -54.85 -43.03 72.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.8 p -42.13 -25.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.12 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 95' ' ' TYR . 11.9 p -89.16 -37.44 15.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 95' ' ' TYR . 13.3 t -152.2 145.3 24.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 89.0 p -68.13 -31.83 71.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.828 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.3 t0 60.47 29.06 18.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 109.36 -28.18 11.33 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.548 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 103' ' ' CYS . 2.7 mt -49.88 135.19 20.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.339 . . . . 0.0 110.874 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 102' ' ' LEU . 42.4 t -33.89 -39.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.453 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 1.4 p -149.25 155.12 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.453 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 32.6 ttpt -87.73 132.16 34.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.479 ' CD2' HG21 ' A' ' 58' ' ' VAL . 26.7 mt -60.14 106.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.949 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.13 -70.79 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -135.22 152.33 76.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.531 0.682 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 151.89 69.2 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.703 2.269 . . . . 0.0 112.311 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 11.1 t -60.52 166.34 3.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 14.5 mt -99.38 172.14 7.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -114.06 118.2 33.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 55.4 mt -83.67 145.48 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -108.37 94.34 5.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.4 m -99.29 150.75 5.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 40.0 t -145.08 152.05 39.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.401 ' HA2' ' HD2' ' A' ' 118' ' ' PRO . . . 68.17 93.09 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.524 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.401 ' HD2' ' HA2' ' A' ' 117' ' ' GLY . 53.6 Cg_endo -69.73 88.04 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.612 2.208 . . . . 0.0 112.394 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.2 m -155.95 167.11 31.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.8 t -84.23 -50.66 7.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.411 -0.276 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t -98.84 -57.47 2.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.889 0.376 . . . . 0.0 110.863 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -52.88 -56.87 12.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.883 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.03 134.28 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m -96.76 155.76 16.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.966 0.413 . . . . 0.0 110.9 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 t -83.06 79.89 9.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.02 90.19 1.93 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.27 145.68 25.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.712 0.291 . . . . 0.0 111.081 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.4 ' OE2' ' OE2' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -59.95 -31.96 70.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.408 ' CG ' ' CZ ' ' A' ' 19' ' ' PHE . 14.7 m-20 -91.18 37.91 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.826 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -44.72 -71.2 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.0 m -75.05 -20.62 59.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.486 HD23 ' HG3' ' A' ' 16' ' ' GLU . 6.3 mt -70.09 -28.86 65.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -54.43 -21.2 9.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.48 -29.85 23.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.075 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.486 ' HG3' HD23 ' A' ' 13' ' ' LEU . 75.3 mm-40 -55.31 129.72 68.68 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.666 0.746 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -40.83 4.83 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 21.5 p-90 -69.25 -15.41 63.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.408 ' CZ ' ' CG ' ' A' ' 10' ' ' ASP . 19.2 t80 -86.63 128.19 34.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.802 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.649 ' O ' HG23 ' A' ' 23' ' ' ILE . 5.9 m-85 -129.18 42.66 3.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 44.27 -123.36 4.95 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.03 100.87 8.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.709 0.29 . . . . 0.0 111.051 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.668 HD11 ' HB2' ' A' ' 28' ' ' ALA . 18.9 pt -129.25 162.85 35.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.108 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -92.14 154.62 18.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.947 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -47.16 -28.35 1.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.4 -47.42 67.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -68.96 -31.96 71.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.668 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -78.71 -41.63 30.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.053 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.565 ' HG2' HG21 ' A' ' 64' ' ' VAL . 13.8 mt-10 -59.62 -59.19 5.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -45.85 -33.04 2.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.447 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 19.3 mm-40 -73.87 -38.14 64.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.3 mt -74.98 -53.49 8.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 20.3 mt -55.87 -13.87 2.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -43.94 168.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 37' ' ' ASN . 95.6 p -82.54 -66.62 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.821 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -38.81 -26.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 35' ' ' SER . 92.0 m-20 -88.87 144.95 25.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.406 ' C ' HD23 ' A' ' 59' ' ' LEU . 9.8 pt20 -132.42 178.45 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.479 HG23 ' HA ' ' A' ' 60' ' ' ASP . 73.2 m -46.86 110.19 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.68 -33.52 2.4 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.455 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.89 120.19 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 111.092 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.828 ' CE2' HG11 ' A' ' 92' ' ' VAL . 39.0 p90 -125.16 151.23 46.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.615 HD21 ' HB1' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -155.98 134.6 11.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -104.65 148.65 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.07 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 57' ' ' SER . 2.5 ptt-85 -145.59 164.4 31.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.56 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 24.6 mt-10 -87.68 139.26 30.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 t -52.25 140.18 22.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -80.99 -51.91 8.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.4 t -90.52 32.73 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -168.51 159.6 10.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -121.75 123.74 42.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.425 ' O ' ' CE1' ' A' ' 54' ' ' PHE . . . 112.24 -41.62 2.18 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.507 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.484 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 4.1 m-20 -65.24 176.62 1.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 71.8 m-85 -154.98 158.26 38.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.451 ' O ' ' NH1' ' A' ' 45' ' ' ARG . 62.7 m -129.54 134.94 48.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.838 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 tp -101.94 107.5 18.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -97.77 116.37 29.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.642 HG22 ' HB3' ' A' ' 42' ' ' PHE . 23.1 t -121.3 151.58 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.116 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.487 HD11 ' HA2' ' A' ' 62' ' ' GLY . 16.9 tp -102.83 131.03 50.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.977 ' O ' HG12 ' A' ' 63' ' ' VAL . 3.6 t70 -134.96 86.89 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 68.57 34.35 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.5 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 97.28 -14.35 63.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.546 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.977 HG12 ' O ' ' A' ' 60' ' ' ASP . 9.8 p -90.01 152.77 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.924 0.392 . . . . 0.0 111.118 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.565 HG21 ' HG2' ' A' ' 29' ' ' GLU . 97.5 t -116.93 107.17 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.197 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.54 ' HE3' HG11 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -90.39 109.83 20.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -83.25 114.88 21.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.737 ' CE1' HD23 ' A' ' 102' ' ' LEU . 93.4 m-85 -106.46 119.09 38.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -68.69 115.28 7.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.434 HD12 ' HB3' ' A' ' 54' ' ' PHE . 44.8 mt -87.76 96.22 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.158 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 12.3 mmm-85 -73.46 156.11 38.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.583 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 12.0 mtp-105 -131.33 148.9 52.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.682 HD11 ' CD2' ' A' ' 78' ' ' PHE . 0.3 OUTLIER -100.49 -178.91 3.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -106.51 -7.59 17.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -123.6 -25.53 4.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -102.51 -120.89 4.81 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -143.84 -99.28 0.29 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.457 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.583 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 28.3 m-85 -122.82 155.99 35.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.347 . . . . 0.0 110.902 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.682 ' CD2' HD11 ' A' ' 72' ' ' LEU . 2.9 p90 -160.56 129.17 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 67' ' ' TYR . 10.8 tp -87.11 -14.85 40.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.622 HG23 ' H ' ' A' ' 83' ' ' LYS . 9.6 t -154.98 125.55 6.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -42.45 -23.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 80' ' ' THR . 10.4 mmm180 -65.88 -45.24 82.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.622 ' H ' HG23 ' A' ' 80' ' ' THR . 56.8 tptt -123.18 149.77 44.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.556 HG22 ' CB ' ' A' ' 78' ' ' PHE . 73.0 t -141.53 148.99 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.081 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.435 ' CG ' ' HA ' ' A' ' 91' ' ' PHE . 15.1 m-85 -124.87 -177.02 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.9 m -106.19 -49.03 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.81 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 66.4 p -133.19 154.43 50.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.129 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.466 ' HB2' HD21 ' A' ' 13' ' ' LEU . 96.0 mt -44.24 -27.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.912 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.417 ' OD1' ' ND2' ' A' ' 93' ' ' ASN . 2.3 t-20 -60.41 -65.35 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -61.0 -22.55 64.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.463 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 4.4 t80 -62.92 -40.46 97.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.828 HG11 ' CE2' ' A' ' 42' ' ' PHE . 94.0 t -92.0 -39.28 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.417 ' ND2' ' OD1' ' A' ' 89' ' ' ASN . 79.4 m-20 -57.28 -17.77 13.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -87.0 -63.78 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.45 ' CD2' ' O ' ' A' ' 91' ' ' PHE . 47.2 m-85 -47.39 -42.97 23.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.8 p -42.01 -24.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.203 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.429 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 4.8 p -90.87 -36.27 14.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 95' ' ' TYR . 7.4 t -156.3 130.58 8.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.617 ' O ' HD12 ' A' ' 102' ' ' LEU . 40.1 p -49.11 -45.37 43.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.5 t70 70.45 48.32 0.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.0 2.49 86.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.737 HD23 ' CE1' ' A' ' 67' ' ' TYR . 3.4 mt -85.39 134.37 34.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 102' ' ' LEU . 35.8 t -34.03 -41.48 0.1 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.416 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 1.6 p -146.46 153.48 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.188 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.429 ' HD2' ' C ' ' A' ' 97' ' ' THR . 20.7 ttpt -87.53 126.91 35.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 18.5 mt -54.98 115.97 2.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -99.17 -55.01 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.551 ' C ' ' CE1' ' A' ' 42' ' ' PHE . 1.7 ptpt -142.33 154.94 64.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 166.95 25.94 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.743 2.295 . . . . 0.0 112.318 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.478 ' CB ' ' HB3' ' A' ' 43' ' ' LEU . 54.1 t -79.42 143.26 35.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.7 mt -72.4 157.62 37.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -117.98 108.52 15.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 21.2 mm -78.41 140.93 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.234 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -122.3 137.54 54.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 16.3 m -90.49 -25.0 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.7 t -111.53 -63.47 1.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 121.85 -158.22 16.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.513 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 107.18 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.665 2.243 . . . . 0.0 112.365 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 58.2 p -120.4 171.2 8.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.824 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 t -121.43 151.77 39.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.472 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.2 p 38.66 42.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.7 p -108.68 89.51 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.08 126.91 0.3 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.456 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.0 t -96.32 133.26 40.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.896 0.379 . . . . 0.0 110.806 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 7' ' ' GLY . 4.2 m -90.04 80.12 6.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.91 90.11 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.447 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -142.58 126.54 17.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.733 0.301 . . . . 0.0 111.156 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -85.78 47.26 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -146.42 135.51 22.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.77 -20.0 5.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.14 -27.91 14.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.481 HD11 HD12 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -54.34 -28.46 42.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.953 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -51.57 -29.25 16.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.03 -32.0 73.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -54.5 131.24 63.27 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.6 0.714 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.438 ' HA ' ' NZ ' ' A' ' 112' ' ' LYS . 54.2 Cg_endo -69.69 -46.71 1.15 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.641 2.227 . . . . 0.0 112.433 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.443 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 11.1 p-90 -66.02 -8.71 24.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.468 ' CG ' ' CD2' ' A' ' 13' ' ' LEU . 12.4 t80 -91.81 119.17 31.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -118.58 18.25 13.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.28 -125.41 10.65 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' A' ' 46' ' ' GLU . . . -118.12 101.66 8.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.76 0.315 . . . . 0.0 111.108 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.481 HD11 ' HB2' ' A' ' 28' ' ' ALA . 8.1 pt -128.93 165.64 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -88.96 152.5 21.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 3.4 ptm180 -46.9 -35.3 6.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.408 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -62.84 -44.35 96.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -67.69 -35.46 78.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.481 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -72.27 -48.17 44.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 32' ' ' LEU . 22.7 mt-10 -51.21 -62.36 1.66 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.2 mttt -43.41 -41.78 4.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -68.38 -34.18 75.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.974 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.745 HD12 HG13 ' A' ' 64' ' ' VAL . 8.9 mt -74.46 -56.77 4.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 34' ' ' TYR . 12.9 mt -55.16 -18.82 6.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.495 ' CE1' HG12 ' A' ' 113' ' ' ILE . 7.3 t80 -35.31 148.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.5 m -64.78 -67.23 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -39.33 -33.91 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -84.19 141.76 30.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -132.66 171.6 13.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.79 HG23 ' HA ' ' A' ' 60' ' ' ASP . 91.5 m -36.88 111.73 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.05 -33.9 2.33 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.436 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.3 120.22 2.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.364 . . . . 0.0 111.11 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.823 ' CE2' HG11 ' A' ' 92' ' ' VAL . 29.7 p90 -127.71 144.24 51.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.594 ' O ' HD12 ' A' ' 43' ' ' LEU . 2.3 pp -152.76 130.7 11.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.491 HG21 HD22 ' A' ' 88' ' ' LEU . 3.7 mp -102.14 136.8 32.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.434 ' NH2' ' HB3' ' A' ' 57' ' ' SER . 10.2 ptt-85 -134.28 166.33 23.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.449 ' HB2' ' HB2' ' A' ' 22' ' ' ALA . 29.8 mt-10 -86.36 136.46 33.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.3 t -77.97 112.87 15.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -45.0 169.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.9 p 40.64 34.82 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -169.48 135.0 1.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -110.58 130.33 55.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.468 ' O ' ' CE1' ' A' ' 54' ' ' PHE . . . 101.44 -32.52 7.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -75.79 148.32 38.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 0.0 110.81 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' A' ' 52' ' ' GLY . 93.0 m-85 -138.98 169.73 17.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.2 m -137.24 131.94 33.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.479 ' CD2' HD22 ' A' ' 79' ' ' LEU . 10.7 tp -99.11 111.59 23.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.434 ' HB3' ' NH2' ' A' ' 45' ' ' ARG . 1.7 p -108.29 120.38 42.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.674 HG22 ' HB3' ' A' ' 42' ' ' PHE . 15.5 t -124.73 148.93 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.568 HD11 ' HA2' ' A' ' 62' ' ' GLY . 7.4 tp -99.37 136.41 39.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.79 ' HA ' HG23 ' A' ' 39' ' ' THR . 1.0 OUTLIER -134.81 79.33 1.79 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.834 179.85 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 74.82 25.9 1.41 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.568 ' HA2' HD11 ' A' ' 59' ' ' LEU . . . 108.05 -12.27 37.55 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.637 HG12 ' O ' ' A' ' 60' ' ' ASP . 5.4 p -96.58 127.34 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 111.101 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.745 HG13 HD12 ' A' ' 32' ' ' LEU . 83.1 t -94.54 109.48 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.166 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.588 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -87.56 111.04 20.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -83.75 110.54 18.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.845 ' HB3' HD11 ' A' ' 79' ' ' LEU . 92.6 m-85 -106.99 116.09 31.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.434 ' O ' HD12 ' A' ' 79' ' ' LEU . 16.8 tpp180 -70.77 126.76 30.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.6 mt -99.57 101.23 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.482 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 23.7 mtp180 -87.13 142.55 27.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.6 mtp-105 -106.23 155.36 19.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.723 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -105.97 -177.38 3.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -102.84 -10.73 18.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -119.3 -42.8 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.59 -117.19 0.75 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.522 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -156.34 -99.47 0.16 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -113.31 139.59 48.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.752 ' CB ' HG22 ' A' ' 84' ' ' VAL . 4.4 p90 -151.69 129.38 11.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.845 HD11 ' HB3' ' A' ' 67' ' ' TYR . 14.6 tp -89.68 -22.8 22.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.51 HG23 ' H ' ' A' ' 83' ' ' LYS . 6.6 t -144.91 124.48 13.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 81' ' ' ARG . 5.2 mmm180 -41.52 -24.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.443 ' NH2' ' OD2' ' A' ' 100' ' ' ASP . 30.2 mtm180 -62.57 -44.66 95.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.563 ' HE2' ' CE1' ' A' ' 94' ' ' TYR . 37.8 tptt -128.32 145.18 51.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.752 HG22 ' CB ' ' A' ' 78' ' ' PHE . 42.0 t -135.09 157.5 40.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.07 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.528 ' CG ' ' HA ' ' A' ' 91' ' ' PHE . 14.9 m-85 -134.68 -174.83 3.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.0 m -113.29 -45.41 3.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 44.6 p -130.49 152.59 49.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.491 HD22 HG21 ' A' ' 44' ' ' ILE . 96.6 mt -45.05 -27.86 0.63 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -62.52 -65.93 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -60.29 -16.49 34.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.0 OUTLIER -70.58 -39.23 73.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.823 HG11 ' CE2' ' A' ' 42' ' ' PHE . 61.1 t -92.65 -33.94 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -56.46 -30.65 63.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.563 ' CE1' ' HE2' ' A' ' 83' ' ' LYS . 87.3 t80 -78.11 -66.49 0.84 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.455 ' O ' ' N ' ' A' ' 97' ' ' THR . 39.6 m-85 -48.89 -43.7 39.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.903 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.564 HG23 HG12 ' A' ' 92' ' ' VAL . 1.9 p -41.29 -24.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 95' ' ' TYR . 9.8 p -89.32 -38.15 14.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.166 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 95' ' ' TYR . 6.6 t -150.44 158.75 44.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 101' ' ' GLY . 6.3 p -103.18 39.9 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.866 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.443 ' OD2' ' NH2' ' A' ' 82' ' ' ARG . 4.2 t70 -39.38 96.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 92.16 -42.77 2.71 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.52 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.56 HD23 ' CZ ' ' A' ' 67' ' ' TYR . 2.7 mt -59.25 146.76 38.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 9.0 m -59.95 -37.25 79.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.549 HG13 HG11 ' A' ' 58' ' ' VAL . 2.0 p -141.52 158.39 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.492 ' N ' HG22 ' A' ' 104' ' ' VAL . 30.5 ttpt -88.72 136.97 32.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.951 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.556 ' CD2' HG21 ' A' ' 58' ' ' VAL . 18.9 mt -67.06 105.81 1.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -83.39 -66.62 0.87 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -138.05 152.71 72.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.666 0.746 . . . . 0.0 110.835 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 145.85 58.47 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.752 2.301 . . . . 0.0 112.359 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 50.2 t -49.71 157.0 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.8 mt -93.72 173.35 7.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.438 ' NZ ' ' HA ' ' A' ' 17' ' ' PRO . 2.0 mptt -121.07 120.75 36.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.537 ' H ' HD12 ' A' ' 113' ' ' ILE . 5.0 mp -80.39 152.06 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.404 ' N ' HG22 ' A' ' 113' ' ' ILE . 64.1 tp60 -82.5 123.26 29.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.1 p -147.9 145.31 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 43.5 m -133.91 144.34 48.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 56.7 -178.08 0.78 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.437 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 -25.54 28.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.691 2.26 . . . . 0.0 112.389 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 73.5 m 60.62 51.14 5.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.5 p -142.25 127.63 18.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.437 179.956 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 t -81.38 124.14 29.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.859 0.361 . . . . 0.0 110.822 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -174.51 178.06 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.81 -173.98 5.67 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.9 p -137.57 115.7 11.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.836 0.35 . . . . 0.0 110.829 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.5 p 43.02 41.1 2.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.62 81.7 1.68 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.426 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -174.9 141.65 0.62 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.747 0.308 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -75.88 -62.37 1.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -71.67 -179.29 2.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -120.11 -58.43 1.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.9 m -65.5 -18.33 65.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.659 HD22 ' CD2' ' A' ' 19' ' ' PHE . 1.7 tt -55.14 -32.84 62.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -52.01 -31.15 28.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.6 -29.4 70.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -54.48 127.6 58.55 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.629 0.728 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 -47.2 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.754 2.303 . . . . 0.0 112.3 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.502 ' CH2' ' HB3' ' A' ' 88' ' ' LEU . 13.0 p-90 -64.04 -18.75 64.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.968 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.659 ' CD2' HD22 ' A' ' 13' ' ' LEU . 7.9 t80 -83.72 110.23 18.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -106.12 25.6 10.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 56.27 -126.37 40.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.37 107.43 17.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.341 . . . . 0.0 111.086 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.968 HD11 ' HB2' ' A' ' 28' ' ' ALA . 8.6 pt -131.21 178.48 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -104.73 156.12 18.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.539 ' N ' HH21 ' A' ' 45' ' ' ARG . 10.0 ptp180 -47.82 -36.24 11.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.845 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.88 -49.11 69.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.4 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . 6.0 t0 -58.8 -39.69 81.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.968 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -75.78 -40.91 54.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -63.44 -43.96 95.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 31' ' ' GLN . 5.6 ptpp? -61.41 -33.04 73.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.479 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 19.1 mm-40 -73.41 -34.34 65.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.943 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.58 HD12 HG13 ' A' ' 64' ' ' VAL . 55.9 mt -77.34 -50.77 12.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 25.2 mt -61.24 -13.4 18.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.415 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 7.8 t80 -44.66 169.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 37' ' ' ASN . 91.6 p -86.5 -62.94 1.4 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.872 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -41.48 -24.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 86.9 m-20 -92.66 159.19 15.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.452 ' C ' HD23 ' A' ' 59' ' ' LEU . 8.0 mm100 -151.3 170.33 19.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.957 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 38' ' ' GLN . 96.5 m -34.16 116.89 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.55 -37.23 2.47 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.518 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.19 117.5 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.772 ' HB3' HG22 ' A' ' 58' ' ' VAL . 20.4 p90 -121.81 157.98 29.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.806 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.678 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.1 pp -163.67 131.81 3.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.4 mp -98.97 142.1 15.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.539 HH21 ' N ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -136.42 153.54 51.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -74.52 115.75 14.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.0 t -45.5 97.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' SER . 39.8 tt0 -45.37 -56.82 4.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' GLU . 20.1 t -38.0 -71.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -113.96 118.59 34.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.2 tttt -59.55 158.74 9.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.64 -48.42 2.31 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.435 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.08 173.3 4.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -142.0 157.21 45.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -132.7 135.7 45.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.423 HD22 HD22 ' A' ' 79' ' ' LEU . 8.6 tp -102.17 125.11 48.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.2 m -116.32 112.86 22.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.791 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.772 HG22 ' HB3' ' A' ' 42' ' ' PHE . 13.0 t -118.35 137.38 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.452 HD23 ' C ' ' A' ' 38' ' ' GLN . 11.2 tp -84.72 132.88 34.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.972 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.7 t70 -135.0 83.93 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 69.92 42.91 0.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.501 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 88.91 -12.63 65.3 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.541 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.972 HG12 ' O ' ' A' ' 60' ' ' ASP . 5.5 p -92.04 153.63 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.888 0.375 . . . . 0.0 111.104 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.58 HG13 HD12 ' A' ' 32' ' ' LEU . 61.5 t -115.93 108.36 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.138 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.618 ' HE3' HG11 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -89.99 107.19 18.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -85.8 110.17 19.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 79.7 m-85 -107.31 116.18 31.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -68.37 124.16 22.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 64.2 mt -94.48 101.67 12.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 69.4 mtt-85 -84.87 140.85 30.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.561 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 9.6 mtp-105 -107.19 151.24 25.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 76' ' ' GLY . 3.7 mm? -81.14 158.18 25.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.961 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -38.21 -36.85 0.24 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -80.76 -45.83 16.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.467 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . 153.2 -31.23 0.79 Allowed Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.42 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 75' ' ' GLY . . . -32.9 124.55 0.29 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.466 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.561 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 23.2 m-85 -90.36 139.63 30.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.906 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -150.78 140.24 21.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.673 ' CD2' HD21 ' A' ' 102' ' ' LEU . 12.2 tp -93.97 -13.87 26.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.5 t -152.04 150.91 30.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 81' ' ' ARG . 4.3 mmm180 -74.79 47.0 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -134.99 -30.84 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.524 ' HE3' ' CZ ' ' A' ' 94' ' ' TYR . 1.0 OUTLIER -143.78 138.59 28.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 82.3 t -125.36 140.73 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -110.76 -176.04 2.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.0 m -105.31 -44.71 4.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.805 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 89' ' ' ASN . 56.7 p -141.84 151.42 42.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.585 HD12 HD11 ' A' ' 13' ' ' LEU . 87.2 mt -39.7 -25.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 87' ' ' THR . 1.9 t-20 -61.34 -69.58 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -56.65 -23.41 41.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 2.5 t80 -61.55 -39.36 90.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.7 t -91.56 -44.7 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -51.27 -24.91 4.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.524 ' CZ ' ' HE3' ' A' ' 83' ' ' LYS . 74.4 t80 -89.96 -64.69 1.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -47.32 -39.97 16.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.2 p -52.7 -32.1 40.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 52.5 p -83.64 -24.99 31.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.157 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.2 t -158.43 138.44 12.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.485 ' N ' ' HG3' ' A' ' 105' ' ' LYS . 14.1 p -67.65 -43.45 80.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.4 t70 60.15 42.61 15.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 108.34 -43.01 1.79 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.425 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.673 HD21 ' CD2' ' A' ' 79' ' ' LEU . 2.6 mt -40.82 131.94 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.745 0.307 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 102' ' ' LEU . 52.0 t -35.32 -39.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.689 HG13 HG11 ' A' ' 58' ' ' VAL . 2.1 p -149.15 156.0 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.485 ' HG3' ' N ' ' A' ' 99' ' ' SER . 2.6 ttmm -81.5 148.83 29.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 21.6 mt -79.11 107.97 12.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.831 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -85.29 -61.14 1.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -145.99 152.62 48.11 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.59 0.709 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 145.55 57.26 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.706 2.27 . . . . 0.0 112.33 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.5 t -54.27 168.64 0.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 8.7 mt -90.49 163.46 14.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -118.9 78.23 1.26 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.415 HD11 ' CZ ' ' A' ' 34' ' ' TYR . 47.8 mm -41.42 142.14 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -65.65 112.9 3.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 23.1 m -119.26 -19.52 5.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 25.5 m -133.76 134.52 43.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.809 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -95.87 144.83 17.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.526 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 123.68 10.34 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 24.4 p -138.75 119.98 14.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 54.5 p -47.84 -46.11 30.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.546 179.98 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.407 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.1 p -75.7 107.06 7.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.811 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t -110.09 80.24 1.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.45 -121.55 0.73 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.1 p -164.23 157.93 18.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.917 0.389 . . . . 0.0 110.791 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -125.97 159.22 33.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.86 121.66 6.84 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.442 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.4 161.43 13.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.784 0.326 . . . . 0.0 111.093 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -80.46 -64.86 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -61.22 166.88 3.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 mtp85 -134.38 -68.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.6 m -59.98 -11.91 6.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.4 tt -62.53 -26.3 68.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -62.04 -25.95 67.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.954 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.97 -34.68 78.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.064 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -44.66 130.85 5.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.698 0.761 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -40.97 4.6 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 11.1 p-90 -74.06 -14.57 61.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.533 ' CD2' HD22 ' A' ' 13' ' ' LEU . 12.9 t80 -85.76 124.31 32.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.564 ' O ' HG23 ' A' ' 23' ' ' ILE . 3.5 m-85 -124.34 49.71 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 20' ' ' PHE . . . 38.12 -119.83 0.83 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.511 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.19 103.25 8.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.762 HD11 ' HB2' ' A' ' 28' ' ' ALA . 9.7 pt -126.41 177.28 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -102.22 149.01 24.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.6 ptt180 -44.39 -33.46 1.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.21 -44.97 90.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.91 -39.77 87.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.762 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -69.8 -47.27 63.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.405 ' HG2' HG21 ' A' ' 64' ' ' VAL . 22.4 mt-10 -51.54 -53.13 41.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -51.42 -42.71 61.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -64.14 -36.73 84.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.634 HD11 ' HB3' ' A' ' 57' ' ' SER . 60.2 mt -74.29 -59.76 2.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 19.4 mt -51.66 -18.25 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 33' ' ' LEU . 10.9 t80 -36.51 154.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 t -70.97 -63.15 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.422 ' HB2' ' CD1' ' A' ' 111' ' ' LEU . 62.7 mt-10 -43.86 -35.8 2.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -79.9 139.27 37.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.813 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 39' ' ' THR . 27.5 mt-30 -130.86 171.54 13.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 38' ' ' GLN . 37.5 m -35.29 116.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.62 -34.34 3.04 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.459 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.23 119.32 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.329 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.878 ' HB3' HG22 ' A' ' 58' ' ' VAL . 21.3 p90 -123.67 153.32 40.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.581 HD21 ' HB1' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -158.39 129.55 6.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -99.06 139.44 20.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.482 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 16.5 ptt-85 -141.73 152.21 43.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.84 156.08 37.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.5 p -78.6 116.85 19.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -51.5 153.51 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.9 t 48.42 37.24 8.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -174.36 142.33 0.77 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -124.18 109.72 13.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.441 ' O ' ' NH1' ' A' ' 71' ' ' ARG . . . 143.7 -18.44 2.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -103.93 176.61 5.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.836 0.35 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.429 ' C ' HD12 ' A' ' 69' ' ' ILE . 95.7 m-85 -155.07 148.17 24.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 t -125.85 132.07 52.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.7 tp -95.45 116.52 28.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.634 ' HB3' HD11 ' A' ' 32' ' ' LEU . 1.7 m -106.53 113.99 27.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.808 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.878 HG22 ' HB3' ' A' ' 42' ' ' PHE . 22.9 t -121.4 152.43 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.121 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.53 HD12 ' O ' ' A' ' 63' ' ' VAL . 15.7 tp -98.88 132.53 44.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.965 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.924 ' O ' HG12 ' A' ' 63' ' ' VAL . 2.3 t70 -135.03 84.34 2.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 68.07 50.43 0.8 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.499 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 82.34 -12.51 44.96 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.439 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.924 HG12 ' O ' ' A' ' 60' ' ' ASP . 3.3 p -91.62 161.68 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.948 0.404 . . . . 0.0 111.124 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.431 HG13 HD12 ' A' ' 32' ' ' LEU . 97.6 t -123.76 105.98 16.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.664 ' HE3' HG11 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -87.42 105.53 17.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -83.39 110.48 18.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.645 ' HB3' HD11 ' A' ' 79' ' ' LEU . 86.7 m-85 -106.85 113.3 26.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.1 mmm-85 -70.2 126.56 30.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.429 HD12 ' C ' ' A' ' 54' ' ' PHE . 5.8 mt -101.3 128.94 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.175 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.418 ' NE ' ' CZ ' ' A' ' 78' ' ' PHE . 2.9 ptm180 -114.78 165.29 12.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.596 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 34.6 mtp180 -125.55 147.24 49.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.729 HD11 ' CE1' ' A' ' 78' ' ' PHE . 1.2 mm? -95.8 -174.74 3.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -111.1 1.07 17.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -125.14 -22.72 4.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -120.31 -117.59 2.6 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -143.53 -120.65 1.5 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.434 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.596 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 9.9 m-85 -98.9 145.36 27.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.853 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.73 ' CB ' HG22 ' A' ' 84' ' ' VAL . 5.5 p90 -151.87 129.32 11.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.645 HD11 ' HB3' ' A' ' 67' ' ' TYR . 12.7 tp -88.24 -23.87 23.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.951 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 82' ' ' ARG . 6.7 t -144.65 124.98 13.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.112 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -42.09 -23.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' THR . 60.6 mtt-85 -61.72 -44.08 97.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.547 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 51.5 tptt -130.27 150.13 51.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.73 HG22 ' CB ' ' A' ' 78' ' ' PHE . 78.3 t -141.14 144.99 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.113 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 7.8 m-85 -121.11 -176.74 3.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.0 m -102.58 -50.96 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 75.1 p -129.39 166.14 20.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.088 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 45.0 mt -53.14 -27.2 19.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -62.22 -67.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -58.45 -22.04 53.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.967 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.559 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 1.6 t80 -63.24 -40.73 98.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.694 HG11 ' CE2' ' A' ' 42' ' ' PHE . 99.3 t -92.55 -37.92 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -55.65 -18.11 7.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.547 ' CE2' ' HE2' ' A' ' 83' ' ' LYS . 29.3 t80 -91.94 -64.92 1.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.47 ' CD1' HD12 ' A' ' 102' ' ' LEU . 32.4 m-85 -51.49 -28.71 14.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.61 -21.58 10.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.5 p -88.1 -40.71 13.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.189 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.1 t -149.52 163.56 37.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.487 ' HB3' ' CA ' ' A' ' 105' ' ' LYS . 37.8 p -105.97 37.56 2.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -41.6 97.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.11 -44.29 2.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.47 HD12 ' CD1' ' A' ' 95' ' ' TYR . 2.5 mt -61.76 150.35 37.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.2 t -59.6 -38.62 81.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.539 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.2 p -139.23 160.72 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.539 ' N ' HG22 ' A' ' 104' ' ' VAL . 12.1 ttmt -91.32 127.83 36.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.418 ' CD2' HG21 ' A' ' 58' ' ' VAL . 29.7 mt -58.0 115.25 2.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -94.2 -68.2 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.559 ' C ' ' CE1' ' A' ' 42' ' ' PHE . 31.1 mttp -137.89 152.61 72.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.556 0.693 . . . . 0.0 110.843 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 141.24 44.42 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.654 2.236 . . . . 0.0 112.353 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 12.0 t -51.12 146.98 5.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.422 ' CD1' ' HB2' ' A' ' 36' ' ' GLU . 11.7 mt -65.07 164.26 13.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.4 mttt -119.34 95.65 4.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.456 HG22 ' H ' ' A' ' 115' ' ' VAL . 78.3 mt -65.36 142.74 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -101.32 41.96 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.456 ' H ' HG22 ' A' ' 113' ' ' ILE . 61.1 t -118.32 134.78 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.175 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.1 t 62.53 37.78 12.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -109.08 -155.48 16.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.83 143.95 52.09 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.692 2.261 . . . . 0.0 112.355 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.7 m -62.93 171.57 2.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.809 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 54.4 p -159.77 126.49 4.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.456 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m -90.92 105.06 17.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.906 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 p -79.89 99.92 7.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.908 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.74 55.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.551 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -93.84 95.65 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.975 0.417 . . . . 0.0 110.812 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.2 m -83.85 153.54 23.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.08 -112.54 0.33 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.51 169.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.746 0.308 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.47 ' O ' ' C ' ' A' ' 10' ' ' ASP . 20.3 mt-10 -64.48 -57.5 9.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 9' ' ' GLU . 1.8 p-10 31.86 39.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 9' ' ' GLU . 15.1 mtp180 -70.11 -32.22 70.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.7 m -78.65 -20.21 50.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.046 HD11 HD12 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -59.33 -33.83 71.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.907 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -53.02 -21.81 5.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.31 -28.84 62.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.065 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.48 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 78.0 mm-40 -60.03 134.27 90.17 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.675 0.75 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -40.88 4.9 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.388 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.48 ' CZ2' ' HG3' ' A' ' 16' ' ' GLU . 22.2 p-90 -68.51 -11.4 59.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.658 ' CG ' HD22 ' A' ' 13' ' ' LEU . 8.7 t80 -92.07 119.44 31.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.411 ' O ' HG23 ' A' ' 23' ' ' ILE . 3.6 m-85 -115.65 25.88 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.845 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.42 -117.74 12.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.425 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -121.47 98.48 5.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.633 HD11 ' HB2' ' A' ' 28' ' ' ALA . 18.2 pt -125.77 172.97 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -99.12 159.23 15.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.445 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 8.8 ptt85 -50.23 -36.12 29.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.445 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -63.53 -42.91 98.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -70.79 -37.94 73.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.633 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -70.9 -38.96 73.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.098 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 32' ' ' LEU . 55.3 mt-10 -63.53 -64.56 0.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -39.8 -29.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -76.19 -40.01 53.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 29' ' ' GLU . 67.7 mt -75.59 -43.56 47.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.433 HD21 ' CG2' ' A' ' 64' ' ' VAL . 4.3 mm? -62.35 -13.49 29.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 1.057 ' CD2' HD21 ' A' ' 111' ' ' LEU . 4.8 t80 -45.13 170.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.2 t -88.89 -59.98 2.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -42.87 -27.27 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.792 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.41 ' ND2' HD23 ' A' ' 111' ' ' LEU . 86.7 m-20 -87.58 151.84 22.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.464 ' O ' HD23 ' A' ' 59' ' ' LEU . 2.6 pp0? -133.23 -174.69 3.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.415 HG23 ' HA ' ' A' ' 60' ' ' ASP . 58.5 m -54.32 106.94 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.232 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.93 -28.71 2.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.541 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.443 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -45.11 115.12 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.861 0.362 . . . . 0.0 111.017 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.982 ' CE2' HG11 ' A' ' 92' ' ' VAL . 21.9 p90 -120.3 153.31 36.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.619 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.4 pp -163.95 127.82 2.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mp -99.15 144.48 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.113 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.6 ptt85 -139.11 160.59 39.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -87.09 119.93 27.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.5 t -40.27 129.88 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -71.61 -49.79 36.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.2 t -61.66 -67.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -92.59 148.69 21.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -95.92 142.62 27.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.534 ' O ' ' CE1' ' A' ' 54' ' ' PHE . . . 99.0 -40.67 2.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.423 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.27 157.11 29.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.534 ' CE1' ' O ' ' A' ' 52' ' ' GLY . 81.7 m-85 -134.8 149.29 50.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 65.6 m -123.83 126.32 46.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.821 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.472 ' HB2' HD11 ' A' ' 69' ' ' ILE . 12.0 tp -93.15 110.71 22.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 t -102.21 117.18 34.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.536 HG22 ' HB3' ' A' ' 42' ' ' PHE . 16.4 t -124.15 152.18 29.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.492 HD11 ' HA2' ' A' ' 62' ' ' GLY . 24.5 tp -99.24 132.65 44.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.972 ' O ' HG12 ' A' ' 63' ' ' VAL . 3.1 t70 -134.03 82.14 1.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 70.75 42.63 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.492 ' HA2' HD11 ' A' ' 59' ' ' LEU . . . 88.88 -10.64 71.81 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.452 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.972 HG12 ' O ' ' A' ' 60' ' ' ASP . 6.1 p -94.39 154.27 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.339 . . . . 0.0 111.109 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.473 HG21 ' HG2' ' A' ' 29' ' ' GLU . 45.0 t -114.28 110.96 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -91.95 107.08 18.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -84.26 110.21 18.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 65' ' ' LYS . 67.3 m-85 -108.2 116.01 31.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -69.84 117.17 11.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.472 HD11 ' HB2' ' A' ' 56' ' ' LEU . 44.5 mt -89.13 103.74 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.499 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 27.7 mtm-85 -79.73 146.38 32.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.575 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 12.0 mtp-105 -118.4 149.3 41.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.727 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -101.09 166.78 10.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -95.9 -5.7 40.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -120.68 -25.93 5.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -106.74 -112.97 3.74 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.497 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -152.29 -93.18 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 9.7 m-85 -127.31 155.22 43.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.727 ' CE1' HD11 ' A' ' 72' ' ' LEU . 7.5 p90 -163.03 129.06 3.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.445 ' CD2' HD21 ' A' ' 102' ' ' LEU . 11.1 tp -87.03 -15.62 38.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.537 HG23 ' H ' ' A' ' 83' ' ' LYS . 3.1 t -160.47 125.56 3.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 80' ' ' THR . 17.4 mmm180 -33.52 -48.6 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.483 ' HG2' HG23 ' A' ' 80' ' ' THR . 0.1 OUTLIER -51.68 -45.18 63.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.537 ' H ' HG23 ' A' ' 80' ' ' THR . 9.7 tptt -113.33 124.82 53.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.543 HG13 ' HB3' ' A' ' 78' ' ' PHE . 99.6 t -134.18 136.43 53.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.475 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 23.2 m-85 -118.99 -174.69 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 m -110.81 -50.16 2.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.2 p -124.75 154.73 40.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 1.046 HD12 HD11 ' A' ' 13' ' ' LEU . 86.9 mt -47.36 -26.76 1.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -63.6 -63.55 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.403 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 10.2 mt-10 -63.03 -10.06 12.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.9 t80 -78.44 -40.87 34.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.982 HG11 ' CE2' ' A' ' 42' ' ' PHE . 45.2 t -92.7 -35.72 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -59.72 -18.05 39.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.536 ' CE2' ' HE2' ' A' ' 83' ' ' LYS . 45.3 t80 -92.36 -56.13 3.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.984 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -62.15 -12.78 21.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 92' ' ' VAL . 2.3 p -76.45 0.14 20.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.442 ' C ' ' HD2' ' A' ' 105' ' ' LYS . 6.8 p -111.51 -26.33 9.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.0 t -162.35 157.49 22.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.9 p -106.79 59.27 0.63 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -49.96 87.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.809 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 87.11 -43.88 3.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.445 HD21 ' CD2' ' A' ' 79' ' ' LEU . 1.9 mt -46.51 135.63 8.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.919 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 44.8 t -43.17 -41.03 3.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.507 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 1.6 p -145.47 159.49 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.507 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 20.3 ttpp -92.56 130.16 38.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.499 ' CD1' HG13 ' A' ' 92' ' ' VAL . 18.8 mt -56.58 120.35 7.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -101.14 -66.03 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt -137.27 152.69 73.91 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.547 0.689 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 149.03 66.18 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.701 2.267 . . . . 0.0 112.309 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.5 t -61.48 151.28 33.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 1.057 HD21 ' CD2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -82.3 155.12 24.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.455 ' N ' HD12 ' A' ' 111' ' ' LEU . 54.4 mttt -106.84 141.27 38.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.466 ' N ' HD13 ' A' ' 113' ' ' ILE . 4.6 mm -79.74 141.45 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -60.75 87.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.2 p -39.0 133.65 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.2 t -97.07 163.92 12.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -163.64 143.43 8.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 88.3 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.685 2.257 . . . . 0.0 112.291 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.5 m -144.43 137.34 26.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 93.9 p -151.05 143.49 24.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.6 p -62.68 160.46 14.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.34 . . . . 0.0 110.914 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 p -38.83 132.4 1.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.784 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.46 94.29 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.439 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.6 m -129.6 134.59 47.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.1 m -115.18 161.05 18.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.78 -105.85 0.25 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.515 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.73 95.86 5.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.767 0.317 . . . . 0.0 111.089 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 10' ' ' ASP . 5.1 tp10 -108.09 45.08 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' GLU . 0.5 OUTLIER 33.47 51.63 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.68 -29.11 70.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 81.7 p -71.56 -25.79 62.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.816 HD11 HD12 ' A' ' 88' ' ' LEU . 2.0 tt -48.08 -25.37 1.41 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -52.5 -33.04 43.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.81 -32.75 72.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.053 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.423 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 27.6 mm-40 -53.92 131.69 58.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.649 0.738 . . . . 0.0 110.862 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -45.35 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.462 ' CZ3' ' HB3' ' A' ' 88' ' ' LEU . 16.0 p-90 -64.9 -15.14 61.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.99 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.544 ' CG ' HD22 ' A' ' 13' ' ' LEU . 9.2 t80 -87.35 130.29 34.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.467 ' O ' HG23 ' A' ' 23' ' ' ILE . 7.8 m-85 -129.45 32.58 4.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.33 -120.32 15.44 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.569 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.88 103.55 9.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.707 0.289 . . . . 0.0 111.079 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.516 HD11 ' HB2' ' A' ' 28' ' ' ALA . 18.7 pt -129.43 174.42 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -100.92 163.4 12.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 11.3 ptt-85 -53.02 -34.48 56.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.437 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -62.98 -49.59 74.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.43 ' HA ' ' CD ' ' A' ' 30' ' ' LYS . 5.2 m-20 -66.31 -34.9 79.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.516 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -72.88 -40.21 65.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.693 ' HG2' HG21 ' A' ' 64' ' ' VAL . 28.5 mt-10 -65.35 -64.62 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.43 ' CD ' ' HA ' ' A' ' 27' ' ' ASP . 9.9 ptmm? -38.34 -33.64 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.428 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 23.8 mm-40 -73.28 -42.81 62.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.481 ' CD1' HG13 ' A' ' 64' ' ' VAL . 83.7 mt -71.1 -42.21 69.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.1 -20.47 65.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -40.67 146.61 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 t -63.09 -58.93 5.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.827 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -41.67 -41.02 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 79.3 m-20 -75.38 151.47 38.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -141.33 172.62 12.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.453 HG23 ' HA ' ' A' ' 60' ' ' ASP . 13.2 m -39.41 115.16 0.47 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.88 -36.47 2.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.37 130.06 4.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.862 0.363 . . . . 0.0 111.081 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.824 ' CE2' HG11 ' A' ' 92' ' ' VAL . 21.0 p90 -133.46 156.25 48.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.795 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.564 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.0 OUTLIER -162.84 129.51 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -100.46 148.43 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.1 ptt85 -143.82 169.89 16.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -90.78 130.6 36.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.1 t -49.36 127.26 14.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -74.99 -37.42 61.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.3 t -72.93 -53.55 11.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.417 ' OE1' ' C ' ' A' ' 51' ' ' LYS . 12.6 tm0? -103.04 158.63 16.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.424 ' C ' ' HD3' ' A' ' 51' ' ' LYS . 2.0 tmtp? -106.68 126.33 52.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.433 ' O ' ' CE1' ' A' ' 54' ' ' PHE . . . 113.39 -45.7 1.28 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.46 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -60.52 177.09 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.433 ' CE1' ' O ' ' A' ' 52' ' ' GLY . 83.8 m-85 -147.26 153.79 40.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 t -126.39 137.84 53.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.817 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.9 tp -105.9 122.6 46.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.972 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 t -114.0 115.63 27.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.698 HG22 ' HB3' ' A' ' 42' ' ' PHE . 19.9 t -121.16 149.93 24.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.174 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 63' ' ' VAL . 32.5 tp -96.95 133.18 41.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.876 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.7 t70 -135.02 74.82 1.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.816 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.416 ' HG3' ' C ' ' A' ' 60' ' ' ASP . 16.1 mt-10 75.06 54.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.39 -5.53 50.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.876 HG12 ' O ' ' A' ' 60' ' ' ASP . 6.6 p -97.34 156.82 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.371 . . . . 0.0 111.087 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.693 HG21 ' HG2' ' A' ' 29' ' ' GLU . 42.1 t -120.62 105.46 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.585 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -87.63 109.49 19.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.428 ' CE1' ' HB2' ' A' ' 25' ' ' ARG . 89.1 m-70 -87.06 111.72 21.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.808 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.585 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 85.2 m-85 -106.6 134.93 48.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -87.38 121.48 29.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.829 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.5 mt -95.56 105.43 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -91.74 144.27 25.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.566 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 32.7 mtp180 -107.85 154.52 21.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.749 HD11 ' CE1' ' A' ' 78' ' ' PHE . 0.6 OUTLIER -102.92 -178.32 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.46 -11.65 17.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -118.85 -22.96 7.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -105.47 -124.17 5.32 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.454 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -147.52 -89.35 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.487 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 24.6 m-85 -126.86 142.26 51.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.917 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.749 ' CE1' HD11 ' A' ' 72' ' ' LEU . 5.6 p90 -153.24 129.18 10.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.0 tp -85.73 -24.45 26.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 81' ' ' ARG . 9.8 t -150.72 123.11 8.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 80' ' ' THR . 11.5 mmm180 -33.48 -45.32 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.411 ' HB3' ' NH1' ' A' ' 82' ' ' ARG . 4.6 mmm180 -37.77 -49.79 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 84' ' ' VAL . 41.6 tptt -129.32 149.04 51.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.513 HG22 ' CB ' ' A' ' 78' ' ' PHE . 67.9 t -136.53 146.31 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.557 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 21.8 m-85 -122.07 178.4 4.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 m -105.42 -50.43 3.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.4 p -126.95 155.62 42.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.157 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.816 HD12 HD11 ' A' ' 13' ' ' LEU . 88.0 mt -47.6 -25.35 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -63.71 -63.26 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -62.86 -18.57 63.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.557 ' HA ' ' CD2' ' A' ' 85' ' ' PHE . 1.5 t80 -67.49 -40.99 85.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.824 HG11 ' CE2' ' A' ' 42' ' ' PHE . 88.5 t -92.39 -34.89 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -59.76 -18.57 44.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -89.01 -64.61 1.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.445 ' CD1' HD12 ' A' ' 102' ' ' LEU . 36.9 m-85 -49.55 -34.83 18.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.932 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.62 HG23 ' O ' ' A' ' 92' ' ' VAL . 7.0 p -49.04 -18.38 0.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.164 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 20.1 p -94.4 -32.23 13.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.0 t -160.32 149.64 17.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.487 ' HB3' ' CA ' ' A' ' 105' ' ' LYS . 61.4 p -92.19 42.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.848 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 99' ' ' SER . 5.6 t70 -36.83 98.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.3 -46.7 3.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.445 HD12 ' CD1' ' A' ' 95' ' ' TYR . 2.4 mt -52.04 145.21 10.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.94 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 55.5 m -55.89 -37.51 68.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.544 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.2 p -142.81 160.69 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.544 ' N ' HG22 ' A' ' 104' ' ' VAL . 27.4 ttpp -90.79 135.12 33.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.09 112.45 3.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -87.75 -65.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -140.28 152.51 67.14 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.563 0.697 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 110' ' ' CYS . 53.8 Cg_endo -69.76 121.85 8.54 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 109' ' ' PRO . 35.3 t -34.73 150.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.9 mt -74.13 -176.51 2.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 113' ' ' ILE . 16.9 mttm -137.39 110.11 7.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.908 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 112' ' ' LYS . 9.5 mm -34.22 142.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -113.52 88.74 2.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 87.5 t -83.78 128.19 39.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.9 t -80.93 -45.77 16.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 80.44 148.5 5.48 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 138.43 37.74 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.252 . . . . 0.0 112.343 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 51.5 p -124.65 147.34 48.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.5 t -104.13 42.3 1.2 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.8 p -163.95 177.47 8.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 110.848 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.1 t -132.3 -61.29 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.58 160.85 10.48 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.54 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -93.61 150.24 20.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.851 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.8 t -111.76 126.54 55.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.03 113.76 0.33 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.443 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -171.04 119.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.797 0.332 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -43.75 -49.64 7.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.76 140.22 30.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -124.76 -67.8 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.9 p -50.1 -25.07 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.811 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.618 HD22 ' CD2' ' A' ' 19' ' ' PHE . 1.8 tt -51.45 -25.46 6.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -56.12 -26.13 48.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.72 -25.78 64.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.473 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 2.6 mm-40 -58.48 134.37 85.55 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.587 0.708 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -45.23 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.723 2.282 . . . . 0.0 112.291 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.519 ' CH2' ' HB3' ' A' ' 88' ' ' LEU . 25.7 p-90 -66.25 -16.6 64.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.618 ' CD2' HD22 ' A' ' 13' ' ' LEU . 6.9 t80 -88.3 121.26 30.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -117.82 24.64 10.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.53 -108.32 2.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.3 101.83 5.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.825 0.345 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.428 HD11 ' HB2' ' A' ' 28' ' ' ALA . 17.7 pt -131.6 163.15 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.26 157.69 18.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.47 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 9.3 ptt180 -50.38 -35.35 27.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.47 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -61.86 -44.07 97.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.2 -37.79 78.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.428 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -69.11 -40.68 78.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 32' ' ' LEU . 27.9 mt-10 -60.86 -64.84 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -39.77 -32.6 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -74.23 -38.86 63.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.725 ' CD1' HG13 ' A' ' 64' ' ' VAL . 95.7 mt -74.4 -44.86 50.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.26 -14.52 39.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.925 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.955 ' CD2' HD21 ' A' ' 111' ' ' LEU . 4.1 t80 -45.18 158.24 0.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 36' ' ' GLU . 30.9 t -74.18 -69.39 0.45 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.878 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 35' ' ' SER . 8.0 mm-40 -35.75 -38.88 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.493 ' CG ' HD23 ' A' ' 111' ' ' LEU . 94.1 m-20 -78.13 140.89 39.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -130.31 175.63 8.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.444 HG23 ' HA ' ' A' ' 60' ' ' ASP . 89.6 m -39.81 114.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.211 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.31 -36.4 2.14 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -40.9 118.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 111.151 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.828 ' HB3' HG22 ' A' ' 58' ' ' VAL . 46.3 p90 -130.38 141.03 50.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.932 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.426 ' O ' HD12 ' A' ' 43' ' ' LEU . 3.4 pp -151.61 131.97 13.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.4 mp -100.37 135.83 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.3 ptt85 -128.64 158.75 37.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -92.26 127.41 37.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.5 t -54.25 103.36 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -51.98 -22.82 4.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.813 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.1 t -82.5 -55.0 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.437 ' CG ' ' OD1' ' A' ' 53' ' ' ASP . 10.4 tp60 -111.91 127.38 55.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.36 152.01 42.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.478 ' O ' ' CE2' ' A' ' 54' ' ' PHE . . . 85.51 -45.26 3.47 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.522 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.437 ' OD1' ' CG ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -58.66 149.85 24.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.869 0.366 . . . . 0.0 110.809 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.478 ' CE2' ' O ' ' A' ' 52' ' ' GLY . 96.1 m-85 -132.97 162.24 32.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.8 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -141.62 122.04 14.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.834 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.9 tp -94.15 120.14 33.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.434 ' OG ' HD11 ' A' ' 32' ' ' LEU . 24.8 p -114.4 113.24 24.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.828 HG22 ' HB3' ' A' ' 42' ' ' PHE . 37.9 t -115.22 149.56 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.091 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.405 HD11 ' HA2' ' A' ' 62' ' ' GLY . 26.8 tp -95.75 132.32 41.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.913 ' O ' HG12 ' A' ' 63' ' ' VAL . 2.6 t70 -135.04 78.92 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 73.92 49.52 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.405 ' HA2' HD11 ' A' ' 59' ' ' LEU . . . 80.95 -6.35 62.85 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.441 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.913 HG12 ' O ' ' A' ' 60' ' ' ASP . 5.3 p -97.95 147.23 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 111.069 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.725 HG13 ' CD1' ' A' ' 32' ' ' LEU . 21.6 t -109.81 108.49 25.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.587 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -89.26 109.31 20.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -85.01 110.31 18.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.587 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 87.3 m-85 -106.67 113.44 26.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -67.86 130.21 42.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.3 mt -100.04 101.12 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.187 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 10.9 mtt85 -87.58 134.67 33.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.419 ' NH1' ' OD2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -104.48 149.07 25.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.707 HD11 ' CE2' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -98.66 -176.79 3.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.93 -19.11 13.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -108.87 -21.91 12.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.15 -118.07 4.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -153.29 -102.2 0.21 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -109.79 148.76 30.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.898 0.38 . . . . 0.0 110.842 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.707 ' CE2' HD11 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -160.1 131.7 6.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.532 HD11 ' CB ' ' A' ' 67' ' ' TYR . 6.2 tp -89.12 -27.67 20.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.518 HG23 ' H ' ' A' ' 82' ' ' ARG . 10.9 t -143.84 160.69 40.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -80.06 37.91 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.518 ' H ' HG23 ' A' ' 80' ' ' THR . 2.0 mmp_? -126.11 -19.61 4.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.577 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 17.2 mmmt -154.09 143.65 21.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.5 t -133.98 138.82 49.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.567 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 47.2 m-85 -120.13 178.8 4.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.2 m -99.03 -54.14 3.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.9 p -124.79 158.95 32.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.106 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.566 ' HB2' HD11 ' A' ' 13' ' ' LEU . 52.8 mt -48.75 -23.79 1.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.403 ' OD1' ' ND2' ' A' ' 93' ' ' ASN . 2.2 t-20 -64.7 -65.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -59.62 -19.31 48.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.579 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 0.8 OUTLIER -69.99 -39.64 75.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 96' ' ' THR . 94.3 t -92.58 -36.92 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.197 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.403 ' ND2' ' OD1' ' A' ' 89' ' ' ASN . 95.3 m-20 -58.51 -13.42 5.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.577 ' CE2' ' HE2' ' A' ' 83' ' ' LYS . 42.2 t80 -96.26 -69.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.435 ' O ' ' N ' ' A' ' 97' ' ' THR . 15.5 m-85 -44.98 -44.35 9.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 92' ' ' VAL . 20.0 p -37.85 -30.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 95' ' ' TYR . 17.8 p -80.48 -47.21 14.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.5 t -143.27 149.45 37.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.456 ' HB3' ' CA ' ' A' ' 105' ' ' LYS . 6.3 p -98.43 33.6 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -40.6 101.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 99.87 -47.67 1.29 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.506 HD21 ' CD2' ' A' ' 79' ' ' LEU . 5.1 mt -63.8 151.72 41.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 11.4 t -62.87 -37.56 87.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.594 HG13 HG11 ' A' ' 58' ' ' VAL . 1.6 p -139.29 157.05 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.468 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 10.6 ttmt -88.65 141.49 28.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.555 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 19.6 mt -68.18 102.68 1.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -80.54 -64.62 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -141.72 149.13 52.45 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.611 0.719 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 110' ' ' CYS . 54.3 Cg_endo -69.79 130.85 20.02 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.725 2.283 . . . . 0.0 112.302 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 109' ' ' PRO . 6.2 t -37.65 147.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.955 HD21 ' CD2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -81.19 155.17 26.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.922 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.458 ' N ' HD12 ' A' ' 111' ' ' LEU . 22.3 mttt -104.63 138.99 40.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.462 HD13 HD11 ' A' ' 111' ' ' LEU . 12.4 mm -97.04 140.58 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -128.5 131.74 48.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.406 HG23 ' N ' ' A' ' 116' ' ' SER . 35.5 m -116.38 -39.8 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.406 ' N ' HG23 ' A' ' 115' ' ' VAL . 33.5 t -97.96 109.53 22.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -140.66 -161.0 8.52 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 2.15 3.81 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.734 2.289 . . . . 0.0 112.342 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 95.7 p 46.47 53.56 9.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.2 t -94.13 96.79 9.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.502 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 t -50.61 -49.08 57.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.863 0.364 . . . . 0.0 110.898 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.0 t -75.3 -58.73 3.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.59 -116.65 2.44 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.568 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -140.33 121.67 14.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.351 . . . . 0.0 110.857 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 m -141.64 148.69 39.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.78 155.54 23.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 9' ' ' GLU . . . -72.81 91.0 1.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.706 0.289 . . . . 0.0 111.086 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 8' ' ' ALA . 1.1 pt-20 36.23 45.47 0.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -103.39 111.1 23.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.2 mtt180 -132.07 -46.06 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.795 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.6 p -66.77 -32.19 73.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.838 HD21 ' HB2' ' A' ' 88' ' ' LEU . 4.0 mt -50.27 -26.74 5.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -52.33 -25.88 10.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.14 -27.81 42.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.078 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.436 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 6.9 mm-40 -62.87 128.05 91.47 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.64 0.734 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -43.3 2.8 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.636 2.224 . . . . 0.0 112.363 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.436 ' CZ2' ' HG3' ' A' ' 16' ' ' GLU . 20.3 p-90 -65.64 -13.72 59.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -85.86 119.55 26.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.64 ' O ' HG23 ' A' ' 23' ' ' ILE . 32.9 m-85 -119.42 50.08 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 20' ' ' PHE . . . 34.69 -122.91 0.49 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.464 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.91 101.99 8.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.721 0.296 . . . . 0.0 111.116 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.762 HD11 ' HB2' ' A' ' 28' ' ' ALA . 9.2 pt -127.75 177.36 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.7 mtmm -102.33 154.72 18.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 8.2 ptt180 -48.32 -34.92 11.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.461 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -64.01 -45.54 88.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -67.6 -36.2 80.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.762 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -73.86 -40.48 63.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.638 ' HG2' HG21 ' A' ' 64' ' ' VAL . 9.8 mt-10 -58.97 -66.06 0.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -40.31 -34.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.61 ' OE1' HD13 ' A' ' 113' ' ' ILE . 7.7 mm100 -71.96 -37.69 69.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.613 HD12 HG13 ' A' ' 64' ' ' VAL . 17.0 mt -75.7 -46.34 31.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.529 HD11 ' O ' ' A' ' 62' ' ' GLY . 4.2 mm? -61.82 -14.08 29.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.869 ' CD2' HD21 ' A' ' 111' ' ' LEU . 4.4 t80 -41.02 156.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.4 t -72.04 -62.49 1.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.483 ' HB2' ' CD2' ' A' ' 111' ' ' LEU . 61.0 mt-10 -43.46 -33.11 1.01 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.846 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.478 ' OD1' HD23 ' A' ' 111' ' ' LEU . 77.1 m-20 -86.48 143.67 27.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -136.4 179.5 6.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.619 HG23 ' HA ' ' A' ' 60' ' ' ASP . 60.5 m -39.35 117.74 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.18 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.27 -35.11 3.04 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.446 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.27 118.89 2.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.907 0.384 . . . . 0.0 111.074 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.743 ' HB3' HG22 ' A' ' 58' ' ' VAL . 27.4 p90 -121.79 160.61 24.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.604 HD21 ' HB1' ' A' ' 28' ' ' ALA . 0.7 OUTLIER -166.29 130.95 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -101.29 140.44 20.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.414 ' NH2' ' ND1' ' A' ' 66' ' ' HIS . 14.1 ptt-85 -142.02 152.11 43.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.2 141.0 49.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 48' ' ' GLU . 4.5 t -77.44 86.4 3.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 47' ' ' SER . 40.7 tt0 -36.38 -44.1 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.9 t -54.34 -50.76 66.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.853 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -120.96 122.61 40.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -71.61 130.03 40.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.02 -40.68 2.46 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -64.91 171.99 3.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -150.91 146.36 26.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.3 m -123.73 132.61 53.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.503 ' HB2' HD11 ' A' ' 69' ' ' ILE . 9.1 tp -99.32 107.67 20.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.977 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -96.09 120.87 37.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.743 HG22 ' HB3' ' A' ' 42' ' ' PHE . 20.1 t -125.64 150.93 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.196 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.408 HD11 ' HA2' ' A' ' 62' ' ' GLY . 19.3 tp -101.45 133.58 45.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.957 ' O ' HG12 ' A' ' 63' ' ' VAL . 0.9 OUTLIER -135.05 79.76 1.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.767 179.873 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 72.92 36.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.529 ' O ' HD11 ' A' ' 33' ' ' LEU . . . 96.79 -12.68 65.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.492 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.957 HG12 ' O ' ' A' ' 60' ' ' ASP . 8.6 p -92.3 141.82 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 0.0 111.097 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.638 HG21 ' HG2' ' A' ' 29' ' ' GLU . 42.5 t -106.72 105.79 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.476 ' HE3' HG11 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -92.26 106.26 18.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.414 ' ND1' ' NH2' ' A' ' 45' ' ' ARG . 26.9 m-70 -83.66 115.73 22.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.787 ' HB3' HD11 ' A' ' 79' ' ' LEU . 98.2 m-85 -106.49 109.74 21.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.481 ' NE ' ' HE ' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -64.95 117.11 7.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.942 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.503 HD11 ' HB2' ' A' ' 56' ' ' LEU . 14.7 mt -92.53 123.58 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.481 ' HE ' ' NE ' ' A' ' 68' ' ' ARG . 20.4 mmt180 -100.45 165.11 11.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.445 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 6.8 mtm-85 -127.17 150.02 49.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.635 ' CD2' ' CD1' ' A' ' 78' ' ' PHE . 2.6 mm? -89.06 -174.86 4.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.04 -36.54 64.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -67.05 -30.31 70.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 116.28 29.1 2.41 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.524 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -106.54 144.46 15.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.445 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 38.0 m-85 -92.14 143.22 26.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.837 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.635 ' CD1' ' CD2' ' A' ' 72' ' ' LEU . 13.6 p90 -154.07 140.14 18.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.787 HD11 ' HB3' ' A' ' 67' ' ' TYR . 13.4 tp -95.57 -20.21 19.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.507 ' CG2' ' HG2' ' A' ' 82' ' ' ARG . 8.9 t -143.66 140.26 29.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -59.13 -9.47 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.507 ' HG2' ' CG2' ' A' ' 80' ' ' THR . 17.6 ptt180 -104.06 20.68 17.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.54 ' HE3' ' CZ ' ' A' ' 94' ' ' TYR . 1.0 OUTLIER -177.17 110.89 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.597 HG13 ' HB3' ' A' ' 78' ' ' PHE . 87.0 t -121.37 149.38 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.08 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -124.35 -175.39 3.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.0 m -102.13 -56.57 2.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 77.0 p -125.95 162.8 24.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.838 ' HB2' HD21 ' A' ' 13' ' ' LEU . 93.1 mt -51.65 -24.06 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.448 ' O ' ' CG ' ' A' ' 93' ' ' ASN . 3.6 t-20 -64.74 -65.2 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.406 ' HA ' ' ND2' ' A' ' 93' ' ' ASN . 26.2 mt-10 -60.45 -15.74 29.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.567 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.1 t80 -69.47 -38.79 77.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.665 HG11 ' CE2' ' A' ' 42' ' ' PHE . 88.6 t -92.7 -36.97 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 89' ' ' ASN . 3.3 m-20 -55.09 -26.2 36.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.54 ' CZ ' ' HE3' ' A' ' 83' ' ' LYS . 26.8 t80 -85.7 -63.42 1.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -53.69 -20.79 5.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 92' ' ' VAL . 1.4 p -65.46 -11.23 41.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.072 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.8 p -96.75 -30.91 12.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.2 t -161.79 161.46 29.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.185 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 101' ' ' GLY . 83.2 p -106.3 45.59 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -38.19 92.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.92 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 86.77 -35.23 3.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.45 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.58 HD21 ' CD2' ' A' ' 79' ' ' LEU . 6.4 mt -59.83 131.55 51.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.3 t -40.69 -43.31 1.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.558 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.6 p -141.73 161.13 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.558 ' N ' HG22 ' A' ' 104' ' ' VAL . 4.3 ttpm? -92.71 139.67 30.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.408 ' CD2' HG21 ' A' ' 58' ' ' VAL . 22.6 mt -68.41 115.49 7.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -93.53 -72.43 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -132.58 152.36 79.83 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.551 0.691 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 143.67 51.8 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.724 2.283 . . . . 0.0 112.358 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 37.9 t -54.45 128.91 33.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.869 HD21 ' CD2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -61.24 159.72 11.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.605 ' N ' HD12 ' A' ' 111' ' ' LEU . 29.4 mttt -110.18 111.36 22.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.767 ' O ' HG13 ' A' ' 115' ' ' VAL . 4.6 mp -66.89 143.41 15.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -50.42 97.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.767 HG13 ' O ' ' A' ' 113' ' ' ILE . 29.8 m -112.03 -34.41 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.1 t -165.9 142.27 5.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.79 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -83.12 149.8 26.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 98.02 0.66 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.753 2.302 . . . . 0.0 112.332 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 60.7 m -79.93 108.87 13.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.759 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 35.3 t -157.05 159.37 37.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.764 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.528 -179.94 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 m -146.59 127.35 14.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.382 . . . . 0.0 110.861 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.0 p -54.33 -44.26 71.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.44 150.6 9.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.489 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -124.42 -61.64 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.814 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.7 t 64.2 42.57 5.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.13 106.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -116.59 153.88 31.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.731 0.301 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -92.74 -59.43 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.52 127.39 32.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 mmm-85 -122.98 -50.38 1.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.4 p -67.64 -25.49 65.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.567 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.5 tt -48.76 -24.58 1.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -58.8 -35.24 72.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.65 -28.84 68.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -53.22 130.8 51.5 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 -47.38 0.93 Allowed 'Trans proline' 0 N--CA 1.466 -0.126 0 C-N-CA 122.728 2.286 . . . . 0.0 112.355 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.496 ' CH2' ' HB3' ' A' ' 88' ' ' LEU . 21.6 p-90 -65.59 -10.5 35.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.548 ' CD2' HD22 ' A' ' 13' ' ' LEU . 6.3 t80 -91.95 123.96 35.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -121.85 24.9 9.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.75 -120.34 21.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.43 104.75 11.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.815 0.34 . . . . 0.0 111.154 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.579 HD11 ' HB2' ' A' ' 28' ' ' ALA . 20.2 pt -132.32 172.87 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 mtmm -101.49 155.33 18.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.442 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 11.5 ptt180 -48.37 -32.61 7.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.442 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -65.91 -42.66 89.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -71.37 -40.23 70.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.579 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -66.97 -39.79 87.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.835 ' HG2' HG21 ' A' ' 64' ' ' VAL . 17.4 mt-10 -60.29 -65.88 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -42.11 -27.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.806 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.415 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 14.3 mm-40 -81.81 -35.9 28.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' GLU . 25.3 mt -77.25 -47.26 20.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 32.2 mt -59.8 -19.53 51.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 1.036 ' CD2' HD21 ' A' ' 111' ' ' LEU . 5.8 t80 -35.48 145.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' GLU . 3.0 t -59.76 -68.37 0.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.912 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' SER . 73.7 mt-10 -36.2 -42.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 80.4 m-20 -68.53 152.29 45.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.535 ' C ' HD23 ' A' ' 59' ' ' LEU . 21.7 mm-40 -141.57 177.37 8.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.2 m -45.79 108.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.28 -29.33 2.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.2 117.01 1.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 111.11 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.742 ' CE2' HG11 ' A' ' 92' ' ' VAL . 15.1 p90 -121.18 155.78 33.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.494 ' C ' HD12 ' A' ' 43' ' ' LEU . 1.2 pp -164.12 127.26 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.2 mp -99.6 143.67 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.5 ptt85 -138.2 166.8 23.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.482 ' HG3' ' CE2' ' A' ' 54' ' ' PHE . 17.1 mt-10 -84.92 136.64 33.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.0 m -66.99 86.71 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.823 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -41.52 -56.06 2.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 78.5 p -47.88 -45.83 30.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -132.2 109.17 9.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.7 tptt -61.05 152.15 28.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.12 -44.08 1.68 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.52 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -78.17 173.93 11.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.482 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 80.5 m-85 -144.85 164.16 31.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.7 t -137.54 130.21 29.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.518 ' HB2' HD11 ' A' ' 69' ' ' ILE . 14.5 tp -98.76 117.97 34.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.0 m -110.36 116.89 32.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.786 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.606 HG22 ' HB3' ' A' ' 42' ' ' PHE . 52.9 t -118.88 151.75 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 63' ' ' VAL . 28.8 tp -96.51 130.93 43.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.887 ' O ' HG12 ' A' ' 63' ' ' VAL . 0.6 OUTLIER -132.61 82.32 2.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.826 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 70.09 48.37 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.49 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 83.77 -10.4 59.99 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.448 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.887 HG12 ' O ' ' A' ' 60' ' ' ASP . 4.5 p -90.51 166.39 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.814 0.34 . . . . 0.0 111.129 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.835 HG21 ' HG2' ' A' ' 29' ' ' GLU . 36.1 t -124.86 103.79 12.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.539 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -87.52 105.52 17.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -84.58 113.52 21.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.697 ' HB3' HD11 ' A' ' 79' ' ' LEU . 86.6 m-85 -106.55 122.78 47.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.97 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.677 ' O ' HD12 ' A' ' 79' ' ' LEU . 3.7 mmm180 -72.85 129.24 37.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.518 HD11 ' HB2' ' A' ' 56' ' ' LEU . 45.2 mt -108.82 106.04 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.457 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 2.0 mpt_? -93.31 155.84 17.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.583 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 15.1 mtp-105 -116.98 150.5 38.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.472 HD11 ' CE1' ' A' ' 78' ' ' PHE . 1.0 OUTLIER -97.05 -174.95 3.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -105.76 -8.23 17.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -121.07 -41.44 2.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.18 -114.98 1.02 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -154.6 -95.81 0.12 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.548 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.583 ' CD1' ' HG2' ' A' ' 71' ' ' ARG . 38.5 m-85 -116.68 147.23 42.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 0.0 110.879 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.472 ' CE1' HD11 ' A' ' 72' ' ' LEU . 4.9 p90 -155.46 134.21 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.697 HD11 ' HB3' ' A' ' 67' ' ' TYR . 16.3 tp -95.53 -19.63 19.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.445 ' CG2' ' HB3' ' A' ' 83' ' ' LYS . 5.3 t -143.64 135.47 26.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.186 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -53.66 -23.73 12.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.422 ' NH2' ' HA3' ' A' ' 101' ' ' GLY . 5.7 ptt180 -86.58 14.07 7.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.561 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 33.9 tptt -161.95 156.67 22.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 83' ' ' LYS . 84.5 t -160.79 144.91 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.121 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.459 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 38.7 m-85 -127.44 176.85 7.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 66.4 m -98.46 -46.72 5.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 89' ' ' ASN . 68.2 p -139.73 153.63 47.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.496 ' HB3' ' CH2' ' A' ' 18' ' ' TRP . 84.3 mt -40.43 -25.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.98 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 87' ' ' THR . 1.8 t-20 -61.23 -69.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -57.67 -22.47 46.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.535 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 1.8 t80 -63.61 -40.54 97.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.742 HG11 ' CE2' ' A' ' 42' ' ' PHE . 90.8 t -92.36 -34.5 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.48 ' ND2' ' C ' ' A' ' 93' ' ' ASN . 0.1 OUTLIER -63.9 -14.85 56.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.561 ' CE2' ' HE2' ' A' ' 83' ' ' LYS . 47.6 t80 -89.78 -69.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.537 ' CD1' HD12 ' A' ' 102' ' ' LEU . 31.7 m-85 -47.05 -40.78 15.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 92' ' ' VAL . 4.6 p -40.0 -27.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 95' ' ' TYR . 7.5 p -83.36 -40.38 19.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 95' ' ' TYR . 10.0 t -154.26 159.41 41.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.6 p -101.43 34.95 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 99' ' ' SER . 72.9 m-20 -34.99 93.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 96.3 -45.18 1.93 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.55 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.537 HD12 ' CD1' ' A' ' 95' ' ' TYR . 4.6 mt -59.61 144.82 46.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.775 0.322 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.3 t -56.38 -37.48 70.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.502 HG22 ' N ' ' A' ' 105' ' ' LYS . 2.2 p -142.75 158.16 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.502 ' N ' HG22 ' A' ' 104' ' ' VAL . 30.4 ttpt -90.55 142.37 27.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.3 mt -70.6 110.01 5.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -89.01 -64.74 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -137.26 152.43 73.43 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.626 0.727 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 152.76 69.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.722 2.281 . . . . 0.0 112.315 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 46.5 t -62.39 127.49 31.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 1.036 HD21 ' CD2' ' A' ' 34' ' ' TYR . 1.2 pp -61.79 166.41 4.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.59 ' N ' HD12 ' A' ' 111' ' ' LEU . 16.2 mttm -122.42 141.02 52.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.0 mm -83.65 139.19 18.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -87.08 106.61 17.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 96.8 t -118.14 -47.53 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.04 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.3 t -92.72 -46.43 7.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 170.58 -149.27 12.4 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.542 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 128.24 15.75 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.671 2.247 . . . . 0.0 112.315 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 58.5 m -82.89 -46.32 13.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.8 p -89.88 -53.91 4.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.824 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m -119.43 41.98 2.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 0.0 110.883 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 t -161.85 124.53 2.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.82 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.34 144.1 4.13 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -129.32 162.03 28.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.387 . . . . 0.0 110.818 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.8 t -166.73 117.2 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.72 102.91 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.523 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.49 174.14 11.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.739 0.304 . . . . 0.0 111.091 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 10' ' ' ASP . 4.1 tt0 49.54 42.91 23.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER 33.64 37.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 9' ' ' GLU . 21.8 mtt-85 -107.06 27.72 8.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.6 m -93.82 -26.41 16.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.467 ' CD1' HD12 ' A' ' 88' ' ' LEU . 6.0 mt -62.88 -31.99 73.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -52.76 -18.81 2.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.95 -30.21 21.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.427 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 72.8 mm-40 -55.88 133.03 73.26 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.657 0.741 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.47 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 53.5 Cg_endo -69.78 -41.59 4.13 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.73 2.286 . . . . 0.0 112.317 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.452 ' CE3' HD13 ' A' ' 44' ' ' ILE . 12.1 p-90 -69.29 -18.92 63.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -86.75 119.57 27.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.685 ' O ' HG23 ' A' ' 23' ' ' ILE . 23.5 m-85 -121.4 37.55 4.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 44.45 -136.24 5.92 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.458 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.05 104.74 16.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.744 0.307 . . . . 0.0 111.07 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.685 HG23 ' O ' ' A' ' 20' ' ' PHE . 7.9 pt -131.37 166.01 29.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.76 161.97 14.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.498 ' HG2' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -53.81 -28.99 38.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.498 ' N ' ' HG2' ' A' ' 25' ' ' ARG . . . -66.35 -45.02 81.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.077 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.46 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 5.2 t70 -70.64 -37.67 73.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.617 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -72.74 -44.71 61.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.167 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -61.4 -56.07 24.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -52.69 -37.85 59.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.499 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 14.3 mm-40 -68.26 -34.9 77.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.614 HD11 ' HB3' ' A' ' 57' ' ' SER . 35.1 mt -76.2 -54.77 6.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.475 ' CD2' ' O ' ' A' ' 62' ' ' GLY . 23.5 mt -53.82 -19.68 4.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.475 ' CE1' ' CD1' ' A' ' 113' ' ' ILE . 9.7 t80 -35.85 146.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 37' ' ' ASN . 2.4 m -61.88 -66.0 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.893 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -39.78 -28.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 31' ' ' GLN . 87.9 m-20 -88.67 156.07 19.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.68 ' C ' HD23 ' A' ' 59' ' ' LEU . 20.9 pt20 -151.95 176.69 11.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 38' ' ' GLN . 23.4 m -36.69 116.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.05 -33.58 3.65 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.497 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.13 112.26 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.874 0.368 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.772 ' HB3' HG22 ' A' ' 58' ' ' VAL . 29.1 p90 -117.43 161.35 19.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 pp -170.35 129.04 0.86 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.452 HD13 ' CE3' ' A' ' 18' ' ' TRP . 5.2 mp -99.33 139.4 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.483 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 15.9 ptt-85 -138.0 158.48 44.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -72.96 133.97 44.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.6 m -60.91 104.09 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -39.01 156.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.6 p 45.54 36.77 2.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -170.94 131.19 0.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.5 tptt -108.92 124.98 51.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.7 -43.8 1.44 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -79.4 170.96 15.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.858 0.361 . . . . 0.0 110.84 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -146.0 172.4 13.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.813 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.7 p -144.77 125.32 14.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.893 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.409 ' HB2' HD11 ' A' ' 69' ' ' ILE . 18.0 tp -93.21 117.54 30.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.614 ' HB3' HD11 ' A' ' 32' ' ' LEU . 1.6 m -109.71 113.83 26.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.772 HG22 ' HB3' ' A' ' 42' ' ' PHE . 15.3 t -116.3 154.05 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.162 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.68 HD23 ' C ' ' A' ' 38' ' ' GLN . 25.2 tp -99.88 132.75 45.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.954 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.0 OUTLIER -135.04 84.74 2.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.748 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 67.96 41.37 2.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.475 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . 91.59 -14.45 63.96 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.532 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.954 HG12 ' O ' ' A' ' 60' ' ' ASP . 6.0 p -88.69 160.01 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 111.181 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.419 HG13 HD12 ' A' ' 32' ' ' LEU . 59.1 t -122.03 107.52 20.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -90.31 107.64 19.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.891 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -83.4 113.91 21.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.778 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' A' ' 65' ' ' LYS . 83.7 m-85 -110.83 114.69 28.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.5 mmm-85 -64.79 132.33 49.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.409 HD11 ' HB2' ' A' ' 56' ' ' LEU . 64.7 mt -105.18 96.21 4.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.21 154.95 28.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.575 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 35.3 mtp180 -121.07 142.78 49.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.483 HD11 ' CE1' ' A' ' 78' ' ' PHE . 1.0 OUTLIER -91.62 -175.53 4.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -108.46 -14.33 14.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -109.93 -34.27 6.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -101.15 -118.04 4.28 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -146.5 -98.6 0.23 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 71' ' ' ARG . 22.4 m-85 -114.6 152.64 31.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.379 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.483 ' CE1' HD11 ' A' ' 72' ' ' LEU . 3.5 p90 -158.98 132.31 7.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.445 HD11 ' HB3' ' A' ' 67' ' ' TYR . 8.9 tp -90.44 -27.94 18.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.42 HG23 ' H ' ' A' ' 82' ' ' ARG . 14.0 t -144.71 153.0 41.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -64.51 -8.62 14.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.42 ' H ' HG23 ' A' ' 80' ' ' THR . 19.6 mmm180 -98.06 3.09 49.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.472 ' HD3' ' CZ ' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -154.96 141.02 18.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.955 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 74.0 t -149.72 142.73 17.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.563 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 25.4 m-85 -134.11 170.67 15.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.85 -41.57 7.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.4 p -128.37 158.67 37.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.467 HD12 ' CD1' ' A' ' 13' ' ' LEU . 65.3 mt -55.37 -32.46 62.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.951 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -60.35 -54.51 44.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -68.37 -13.75 62.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.57 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 0.9 OUTLIER -77.35 -37.7 51.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.656 HG11 ' CE2' ' A' ' 42' ' ' PHE . 92.3 t -92.72 -35.56 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -58.88 -22.34 59.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.442 ' CE1' ' HD2' ' A' ' 83' ' ' LYS . 6.8 t80 -88.61 -62.09 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -54.93 -15.47 2.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.989 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 92' ' ' VAL . 0.8 OUTLIER -69.99 -12.44 61.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.17 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.9 p -98.1 -31.45 12.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.117 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.2 t -159.29 152.09 21.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.487 ' HB3' ' N ' ' A' ' 105' ' ' LYS . 91.0 p -91.5 43.82 1.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 99' ' ' SER . 68.8 m-20 -34.58 94.89 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 99' ' ' SER . . . 84.5 -52.89 4.77 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.559 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.429 HD21 ' CD2' ' A' ' 79' ' ' LEU . 4.2 mt -41.48 149.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 40.7 t -60.35 -30.54 69.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.491 ' CG2' ' N ' ' A' ' 105' ' ' LYS . 1.5 p -152.25 157.82 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.179 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.491 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 4.9 ttpm? -85.84 143.24 28.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.537 ' HB3' ' CD1' ' A' ' 42' ' ' PHE . 16.0 mt -73.78 106.33 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -80.43 -72.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.4 mtpt -134.17 151.62 76.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.491 0.662 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 142.74 48.42 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.639 2.226 . . . . 0.0 112.379 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 14.1 t -50.06 165.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.5 mt -101.93 179.37 4.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.31 139.7 53.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.475 ' CD1' ' CE1' ' A' ' 34' ' ' TYR . 4.2 mm -76.83 136.35 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -57.2 134.6 56.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 27.6 m -88.68 46.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.0 t 45.11 41.83 6.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -144.89 146.06 16.05 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -7.78 21.92 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.738 2.292 . . . . 0.0 112.295 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 61.7 p -46.26 107.23 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.8 p -135.63 134.03 38.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.451 179.972 . . . . . . . . 0 0 . 1 stop_ save_