data_1wjq_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 1wjq _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 ' 14' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -129.68 169.3 15.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -97.18 157.26 16.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt 64.79 27.41 12.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.419 ' CE ' HG22 ' A' ' 36' ' ' VAL . 12.7 ptt? -116.06 -176.77 3.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.467 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 42.4 mmtm -120.27 152.27 38.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -167.48 143.33 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -82.54 116.12 21.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.1 t -109.33 141.27 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.43 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 79.3 t -86.2 117.94 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 27' ' ' ASN . 10.3 t0 -51.58 110.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.435 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 12.1 mmmt -44.45 -58.16 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -29.23 66.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 24' ' ' ASP . 2.7 m120 -129.66 93.47 34.75 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.63 0.728 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.43 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.6 Cg_endo -69.84 -6.5 18.77 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.316 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 21.9 mmt -103.68 11.56 35.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -132.42 133.95 44.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.59 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 25.6 mt -129.0 143.65 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 45.0 mtt-85 -143.84 167.79 21.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.467 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 74.4 t -68.27 152.14 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -140.49 166.32 25.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.2 m -135.52 113.24 10.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.419 HG22 ' CE ' ' A' ' 18' ' ' MET . 21.5 t -64.69 103.26 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.88 -51.96 8.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -138.96 134.36 33.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.8 p -105.98 112.56 25.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -83.28 -178.39 7.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -47.26 -57.1 5.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -130.98 30.56 4.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -147.93 172.58 13.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.3 m -155.68 122.4 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -70.03 102.99 2.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.6 m -87.33 116.34 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -104.18 121.07 42.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -79.29 106.83 11.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -39.33 116.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.85 -65.44 0.61 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 53.1 m95 . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.758 0.314 . . . . 0.0 110.89 -179.886 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.429 ' O ' ' C ' ' A' ' 56' ' ' ASP . 14.4 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.881 0.372 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 55' ' ' TYR . 15.5 m-20 -35.72 144.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -151.57 156.39 40.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 55.5 m95 -81.99 105.17 12.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.7 tt -108.89 143.05 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -66.68 123.96 21.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.85 -17.09 55.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -100.38 6.33 44.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.2 t -66.2 141.9 97.59 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.671 0.748 . . . . 0.0 110.824 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -21.77 32.79 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.15 -34.81 66.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 29.0 mt -65.73 127.48 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 97.9 m-70 -128.89 143.23 47.85 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.622 0.725 . . . . 0.0 110.889 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 163.02 39.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.245 . . . . 0.0 112.311 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.3 t -62.89 103.75 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.63 6.98 6.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.451 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.59 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 1.8 t90 -68.07 -12.64 61.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.745 0.307 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.2 p -67.46 -32.25 72.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.7 m -81.85 -50.9 8.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -39.68 -62.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.505 HG23 ' CE2' ' A' ' 71' ' ' TRP . 35.0 p -80.43 -32.99 37.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.79 31.34 7.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -100.78 143.3 26.31 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.577 0.703 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 139.77 40.98 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.644 2.229 . . . . 0.0 112.346 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.7 tp -104.61 144.67 31.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -105.14 134.78 19.48 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.575 0.702 . . . . 0.0 110.943 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 151.08 68.88 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.64 2.227 . . . . 0.0 112.346 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.216 0 C-N-CA 122.676 2.251 . . . . 0.0 112.384 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' A' ' 61' ' ' ALA . 4.1 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.789 0.328 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -149.18 162.76 39.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -90.49 147.42 23.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt 70.12 25.22 4.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.468 ' CE ' HG21 ' A' ' 36' ' ' VAL . 11.0 ptt? -110.27 177.07 4.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -117.18 153.41 32.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -167.64 140.76 3.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.983 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 67' ' ' HIS . 95.1 mt-10 -81.44 117.56 21.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.7 t -110.55 142.12 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.4 t -86.51 118.64 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.175 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' ASN . 8.8 t0 -51.38 108.45 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 2.1 mmmm -42.1 -57.23 2.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -61.93 -33.89 75.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' ASP . 22.2 m-20 -121.85 91.59 48.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.588 0.709 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -7.98 22.43 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.646 2.231 . . . . 0.0 112.39 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.5 ptp -101.9 11.51 38.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -135.78 133.15 37.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.597 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 27.4 mt -127.26 144.25 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.4 mtt85 -141.65 162.16 36.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.84 146.56 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -132.68 164.1 27.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.4 m -130.76 114.62 15.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.468 HG21 ' CE ' ' A' ' 18' ' ' MET . 17.7 t -65.66 104.59 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.4 -39.3 17.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -147.88 137.5 22.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.0 p -111.58 111.49 22.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.519 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 6.5 t0 -81.9 -178.66 7.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.413 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 20.3 m-20 -46.47 -56.11 6.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.413 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 2.2 m-70 -131.94 28.87 4.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 40' ' ' ASP . 18.1 mtm180 -145.5 170.36 16.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.0 m -154.05 122.9 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -70.66 107.19 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.7 m -93.23 113.03 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.455 ' CD2' ' C ' ' A' ' 47' ' ' HIS . 2.7 t60 -99.97 126.69 46.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.513 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 3.1 m-85 -82.23 102.49 11.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -37.83 130.99 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.27 -45.79 3.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.455 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.513 ' CD1' ' HB3' ' A' ' 48' ' ' PHE . 75.6 m95 . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.799 0.333 . . . . 0.0 110.921 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -44.27 161.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -163.94 149.27 10.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.519 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 44.3 m95 -76.84 106.54 8.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 16.8 tt -109.11 144.5 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.449 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 6.2 m-20 -68.71 127.36 32.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.42 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . . . -62.1 -20.8 64.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -93.83 -5.5 47.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.9 t -56.65 138.8 76.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.664 0.745 . . . . 0.0 110.868 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -24.31 29.83 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.657 2.238 . . . . 0.0 112.317 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.03 -31.23 70.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.449 ' CD1' ' O ' ' A' ' 60' ' ' ASP . 62.3 mt -66.55 127.56 28.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.46 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 89.0 m-70 -129.04 140.2 37.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.54 0.686 . . . . 0.0 110.883 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 157.37 60.58 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.325 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.5 t -58.34 102.85 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.132 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 122.83 12.72 4.83 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.597 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 0.6 OUTLIER -75.17 -22.83 57.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.749 0.309 . . . . 0.0 110.967 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.44 ' HA ' ' CE3' ' A' ' 71' ' ' TRP . 30.5 p -60.85 -31.65 71.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 75' ' ' THR . 74.9 m -83.55 -66.22 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.461 ' CG ' HG22 ' A' ' 75' ' ' THR . 3.4 ptmm? -33.72 -34.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 73' ' ' SER . 44.6 p -99.87 -46.88 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 109.73 18.06 9.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.523 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 2.2 m80 -89.81 145.42 33.32 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.599 0.714 . . . . 0.0 110.844 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 136.78 33.83 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.7 tp -109.22 137.25 47.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -100.61 135.36 20.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.589 0.709 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 154.72 67.26 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.272 . . . . 0.0 112.337 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.202 0 C-N-CA 122.68 2.253 . . . . 0.0 112.363 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.517 ' CE1' ' O ' ' A' ' 61' ' ' ALA . 9.4 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.801 0.334 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -128.22 172.18 11.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -98.92 150.64 21.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt 69.84 26.57 4.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.5 ptt? -113.15 -177.0 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.455 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 33.0 mmtm -121.43 151.57 40.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.453 HD13 ' CG2' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -166.68 141.61 4.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 67' ' ' HIS . 65.1 mt-10 -81.53 112.55 18.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.453 ' CG2' HD13 ' A' ' 20' ' ' LEU . 61.2 t -105.33 152.79 7.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.464 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 93.5 t -98.69 117.76 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 27' ' ' ASN . 22.3 t0 -54.88 108.04 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 5.6 mmmt -41.99 -54.52 3.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -63.85 -29.06 70.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' ASP . 16.3 m-80 -129.64 92.04 38.9 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.645 0.736 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.464 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 54.3 Cg_endo -69.77 -18.72 36.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.559 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 11.5 ptp -92.74 15.42 14.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.559 ' CE1' ' HG3' ' A' ' 29' ' ' MET . 72.8 m-85 -136.04 124.52 23.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.557 HD12 ' CZ3' ' A' ' 71' ' ' TRP . 56.6 mt -125.41 133.22 69.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -132.23 174.21 10.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.455 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 85.4 t -75.41 142.49 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -127.21 166.02 18.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.1 m -137.15 108.92 7.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.125 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 t -62.98 102.58 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.0 -48.68 13.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -139.25 142.89 37.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.422 HG22 ' CG1' ' A' ' 44' ' ' VAL . 44.0 p -114.15 119.96 38.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.411 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 3.0 t70 -93.1 -176.77 4.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.513 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 7.4 m-20 -47.62 -57.44 5.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.513 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 1.8 m-70 -131.59 32.62 4.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.419 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 26.7 mtm180 -147.75 173.2 13.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.422 ' CG1' HG22 ' A' ' 39' ' ' THR . 29.2 m -158.94 117.49 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -66.78 106.79 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.1 m -93.4 119.63 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.407 ' CD2' ' C ' ' A' ' 47' ' ' HIS . 4.8 t60 -106.08 117.9 35.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -76.09 107.17 8.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -44.01 128.79 5.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.66 -43.32 2.88 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 10.9 m0 . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.737 0.303 . . . . 0.0 110.958 -179.933 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.415 ' O ' ' C ' ' A' ' 56' ' ' ASP . 57.6 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.889 0.376 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 55' ' ' TYR . 4.6 m-20 -37.12 139.82 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -152.2 152.49 32.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.411 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 46.4 m95 -77.07 106.48 8.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 17.2 tt -109.46 141.28 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.443 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 62.0 m-20 -61.72 129.0 38.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.517 ' O ' ' CE1' ' A' ' 14' ' ' PHE . . . -63.77 -23.01 67.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.081 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -100.95 18.36 19.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 t -74.18 141.97 78.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.672 0.749 . . . . 0.0 110.859 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 -21.32 34.16 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.391 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.03 -34.49 64.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.443 ' CD1' ' O ' ' A' ' 60' ' ' ASP . 81.5 mt -66.91 126.72 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 21' ' ' GLU . 95.5 m-70 -129.03 143.23 47.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.552 0.691 . . . . 0.0 110.882 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 161.9 44.14 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.716 2.278 . . . . 0.0 112.361 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.0 t -61.97 102.72 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.32 11.29 4.71 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 77' ' ' HIS . 1.6 t90 -71.5 -14.29 62.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.713 0.292 . . . . 0.0 110.875 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 31.6 p -67.22 -34.25 77.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.7 t -77.03 -47.8 19.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -43.56 -68.62 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.9 p -74.12 -50.97 17.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.28 35.12 1.51 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.568 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 4.5 m80 -101.47 143.63 26.97 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.585 0.707 . . . . 0.0 110.825 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 136.52 33.25 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.407 ' CD1' ' O ' ' A' ' 31' ' ' ILE . 18.6 tp -104.89 144.67 31.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -107.48 130.8 22.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.64 0.733 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 153.5 69.18 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.688 2.259 . . . . 0.0 112.418 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.173 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.946 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.547 ' CD1' ' HB2' ' A' ' 61' ' ' ALA . 26.3 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.775 0.322 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -117.14 167.85 10.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -97.46 152.72 18.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt 69.55 25.51 5.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.416 ' CE ' HG23 ' A' ' 36' ' ' VAL . 19.1 ptt? -111.75 -179.83 3.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -118.75 142.08 48.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.46 HD11 ' CG2' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -158.21 140.93 14.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 67' ' ' HIS . 91.1 mt-10 -81.33 115.27 20.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.46 ' CG2' HD11 ' A' ' 20' ' ' LEU . 58.1 t -108.23 140.23 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.449 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 85.6 t -82.0 117.59 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -53.34 118.04 3.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 13.9 mmmt -53.71 -51.98 61.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.477 ' HD2' ' N ' ' A' ' 26' ' ' ARG . 8.7 mmm-85 -60.09 -36.27 77.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -132.04 94.44 24.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.621 0.724 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.449 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 54.1 Cg_endo -69.72 -5.14 15.46 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.727 2.285 . . . . 0.0 112.354 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -96.72 9.12 42.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -133.18 135.94 45.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.59 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 23.8 mt -129.2 135.43 61.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.097 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -133.14 -179.93 5.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.8 t -84.24 142.27 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -125.46 174.05 8.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.9 m -145.79 109.54 4.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.416 HG23 ' CE ' ' A' ' 18' ' ' MET . 33.0 t -59.75 108.91 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.02 -42.7 12.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -147.59 131.11 16.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.9 p -104.47 114.44 28.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.466 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 6.3 t70 -87.94 -175.85 5.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.453 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 3.9 m-20 -45.99 -64.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.453 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 1.1 m-70 -125.75 33.63 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -150.14 169.1 22.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.3 m -155.57 124.19 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 tttt -69.65 109.86 4.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.1 m -98.1 113.33 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -99.9 133.83 43.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.418 ' CZ ' ' HB ' ' A' ' 22' ' ' VAL . 4.7 m-85 -91.38 101.01 13.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -41.02 124.58 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.31 -59.14 0.57 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.511 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 62.4 m95 . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.758 0.313 . . . . 0.0 110.96 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.448 ' O ' ' C ' ' A' ' 56' ' ' ASP . 12.3 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.899 0.38 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 55' ' ' TYR . 13.5 m-20 -34.3 147.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -156.87 145.17 19.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.466 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 60.1 m95 -75.56 104.99 6.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 16.1 tt -105.26 147.38 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.415 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 55.5 m-20 -70.31 122.04 18.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.838 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.547 ' HB2' ' CD1' ' A' ' 14' ' ' PHE . . . -57.34 -23.57 49.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -96.27 12.04 32.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.3 t -71.47 142.39 86.5 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.68 0.752 . . . . 0.0 110.832 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -22.39 32.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.479 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 1.0 OUTLIER -74.37 -35.02 63.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.89 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.415 ' CD1' ' O ' ' A' ' 60' ' ' ASP . 53.1 mt -62.23 119.85 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 21' ' ' GLU . 83.8 m-70 -124.03 143.64 42.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.554 0.692 . . . . 0.0 110.871 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 164.38 34.81 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.331 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 18.5 t -55.72 -23.38 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -101.49 42.05 2.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.59 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 84.1 t90 -94.1 -43.4 8.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.338 . . . . 0.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.6 p -53.06 -37.52 61.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.3 m -78.5 -52.29 8.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -49.97 -59.72 3.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.5 p -78.59 -23.06 46.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.35 30.75 48.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.475 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 4.7 m80 -96.94 149.96 36.31 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.601 0.715 . . . . 0.0 110.837 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 143.99 52.74 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.3 tp -115.7 151.76 34.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -115.17 134.32 22.56 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.596 0.712 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 150.54 68.17 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.342 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.214 0 C-N-CA 122.691 2.261 . . . . 0.0 112.329 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' A' ' 61' ' ' ALA . 54.2 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.846 0.355 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -116.51 171.62 7.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -100.47 162.36 12.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.2 mtpt 60.6 25.92 15.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 18.3 ptt? -114.26 -175.86 2.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 32.2 mmtm -119.65 148.26 43.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.466 ' CD1' HG23 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -163.42 145.48 9.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 67' ' ' HIS . 68.0 mt-10 -85.61 119.39 25.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.466 HG23 ' CD1' ' A' ' 20' ' ' LEU . 70.7 t -113.74 137.06 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.0 t -80.31 122.2 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' ASN . 17.2 t0 -64.79 116.46 6.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 4.5 mmmt -48.05 -58.92 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.414 ' HG3' ' ND2' ' A' ' 27' ' ' ASN . 3.8 ptp180 -57.95 -32.91 68.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.414 ' ND2' ' HG3' ' A' ' 26' ' ' ARG . 66.0 m-80 -129.53 91.29 41.46 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.629 0.728 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -21.08 34.22 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.9 mtt -88.76 14.17 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -134.14 125.59 28.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.509 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 46.3 mt -123.57 136.01 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -133.2 -179.65 5.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.401 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 81.2 t -84.92 145.43 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -130.73 159.38 37.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.0 m -126.73 108.55 11.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.7 t -59.45 105.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.85 -47.75 12.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -142.24 136.14 29.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.7 p -107.57 110.83 22.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.402 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 11.6 t0 -81.41 -175.51 5.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.456 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 5.8 m-20 -50.24 -57.11 8.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.456 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 2.1 m-70 -130.52 28.16 4.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.8 mtm-85 -145.32 168.9 19.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.2 m -153.05 121.45 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -69.05 108.71 3.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.2 m -95.82 115.51 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.136 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.452 ' CD2' ' C ' ' A' ' 47' ' ' HIS . 3.0 t60 -103.0 132.26 49.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -87.18 103.12 15.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -44.74 106.87 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.42 -45.02 1.31 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 10.9 m0 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.766 0.317 . . . . 0.0 110.943 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.896 0.379 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.06 157.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -159.9 159.69 32.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.402 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 44.4 m95 -83.37 105.82 14.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.421 HD12 ' NZ ' ' A' ' 25' ' ' LYS . 15.8 tt -109.17 142.38 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -69.04 125.44 26.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.465 ' O ' ' CE1' ' A' ' 14' ' ' PHE . . . -57.82 -27.6 63.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.062 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -88.61 1.9 54.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.8 t -61.71 141.0 95.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.699 0.762 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -26.93 26.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.706 2.271 . . . . 0.0 112.311 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.77 -30.0 67.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.836 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.5 mt -65.67 122.93 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 21' ' ' GLU . 71.7 m-70 -128.95 143.82 50.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.581 0.705 . . . . 0.0 110.843 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 158.91 55.3 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.701 2.267 . . . . 0.0 112.322 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.5 t -51.34 -22.5 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -102.73 42.93 1.78 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.498 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.51 ' CZ3' ' HB2' ' A' ' 77' ' ' HIS . 88.3 t90 -93.81 -50.51 5.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.32 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.1 p -41.35 -36.85 0.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 74' ' ' LYS . 4.9 p -74.92 -62.85 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 73' ' ' SER . 5.9 mtpm? -34.72 -62.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.509 HG23 ' CE2' ' A' ' 71' ' ' TRP . 81.7 p -75.99 -47.73 23.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.135 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.19 29.44 4.27 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.51 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 3.8 m80 -97.82 146.39 31.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.596 0.712 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 135.63 31.01 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.718 2.278 . . . . 0.0 112.349 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.9 tp -100.14 144.53 29.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -106.32 126.88 29.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.555 0.693 . . . . 0.0 110.949 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 149.29 66.88 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.309 179.925 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.439 ' CD1' ' HB3' ' A' ' 61' ' ' ALA . 8.8 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.833 0.349 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.422 ' HG3' ' C ' ' A' ' 14' ' ' PHE . 61.5 mt-30 -148.3 162.5 39.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -89.95 152.91 20.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.0 mttt 66.79 25.16 9.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.9 ptt? -113.01 172.28 7.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -111.08 153.66 25.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -170.41 142.03 2.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.955 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.448 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 78.3 mt-10 -81.22 117.17 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 85.8 t -111.63 135.09 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.17 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.1 t -78.78 122.8 34.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 27' ' ' ASN . 5.8 t70 -57.43 109.25 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 1.6 mmmm -42.15 -57.78 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -62.37 -29.59 70.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' ASP . 28.4 m-20 -126.3 92.48 45.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.622 0.725 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.66 -18.02 37.69 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.728 2.285 . . . . 0.0 112.405 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 55.8 mtm -94.19 14.98 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -135.47 132.77 37.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.569 HD11 ' CZ3' ' A' ' 71' ' ' TRP . 47.0 mt -128.39 141.67 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -142.71 161.63 37.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 34' ' ' ALA . 86.5 t -66.09 147.95 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.468 ' N ' HG13 ' A' ' 33' ' ' VAL . . . -133.31 163.38 29.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.1 m -130.86 106.4 8.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.5 t -60.15 103.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.113 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.21 -53.53 6.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -134.88 130.31 35.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.7 p -100.68 113.72 26.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.537 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 12.9 t0 -76.57 -174.82 3.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.0 -37.36 75.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.446 ' CD2' ' N ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -132.78 10.48 4.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.2 mtt85 -143.92 179.33 7.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.0 m -156.95 120.61 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.4 tttm -66.1 120.14 12.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.2 m -103.79 116.24 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -107.87 115.01 29.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.419 ' O ' ' C ' ' A' ' 49' ' ' ASP . 3.9 m-85 -73.49 105.06 4.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 48' ' ' PHE . 26.1 t0 -35.51 122.56 0.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 51' ' ' TRP . . . 93.24 -62.9 2.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.544 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.416 ' C ' ' O ' ' A' ' 50' ' ' GLY . 33.9 m95 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.754 0.311 . . . . 0.0 110.936 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.423 ' O ' ' C ' ' A' ' 56' ' ' ASP . 50.7 m-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.87 0.367 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 55' ' ' TYR . 2.7 m-20 -36.77 147.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -156.67 148.63 22.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 55.7 m95 -77.46 105.25 8.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 16.0 tt -106.62 141.41 21.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.456 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 30.7 m-20 -62.49 131.48 49.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.439 ' HB3' ' CD1' ' A' ' 14' ' ' PHE . . . -65.51 -23.78 66.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -100.69 23.53 10.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.5 t -80.1 141.33 54.15 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.666 0.746 . . . . 0.0 110.84 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -22.06 32.53 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 0.0 112.384 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -73.3 -32.78 64.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.456 ' CD1' ' O ' ' A' ' 60' ' ' ASP . 72.2 mt -66.35 128.16 28.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -128.73 143.62 49.22 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.592 0.711 . . . . 0.0 110.848 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 162.12 43.3 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.704 2.27 . . . . 0.0 112.366 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.8 t -64.75 91.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 132.2 23.9 0.81 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.57 ' CZ3' ' HB2' ' A' ' 77' ' ' HIS . 1.2 t90 -84.4 -10.4 57.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.754 0.312 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.3 p -77.67 -24.49 49.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 74' ' ' LYS . 5.6 t -86.68 -56.68 3.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.542 ' HD3' ' CD1' ' A' ' 71' ' ' TRP . 16.2 ptmt -34.22 -37.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.458 HG22 ' CG ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -113.34 -44.36 3.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 109.6 37.01 1.97 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 8.4 m80 -91.6 153.26 43.99 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.606 0.717 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 149.2 66.61 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.382 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.8 tp -133.47 136.29 45.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -104.06 128.05 27.98 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.559 0.695 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 155.52 65.71 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.372 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.159 0 C-N-CA 122.713 2.275 . . . . 0.0 112.285 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.519 ' CD1' ' HB3' ' A' ' 61' ' ' ALA . 7.1 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.835 0.35 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -118.65 157.67 26.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -85.44 148.38 26.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt 69.84 26.61 4.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.466 ' CE ' HG21 ' A' ' 36' ' ' VAL . 12.3 ptt? -109.95 174.72 5.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 18.0 mmtp -114.77 148.83 37.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.5 141.99 7.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 67' ' ' HIS . 82.5 mt-10 -81.38 114.53 20.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.3 t -108.43 140.46 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.448 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 86.9 t -85.81 115.12 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 27' ' ' ASN . 13.0 t0 -52.81 109.14 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 1.4 mmmm -42.12 -58.77 2.0 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -60.54 -32.05 71.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 24' ' ' ASP . 3.1 m-20 -126.11 91.36 48.18 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.593 0.711 . . . . 0.0 110.838 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.448 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 54.0 Cg_endo -69.77 -18.7 36.79 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.713 2.275 . . . . 0.0 112.342 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.5 mtm -93.09 14.59 17.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -135.49 120.77 19.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.574 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 41.6 mt -121.52 139.52 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.5 mtt-85 -138.35 177.59 7.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 99.0 t -80.74 138.75 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.55 166.92 14.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.6 m -133.55 114.14 13.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.466 HG21 ' CE ' ' A' ' 18' ' ' MET . 22.0 t -63.97 102.62 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.16 -44.72 13.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.043 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -136.49 141.53 43.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.8 p -117.0 109.82 17.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.424 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 5.9 t0 -85.5 -175.88 5.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -51.26 -64.91 0.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -120.87 26.38 9.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.6 mtt85 -146.7 169.64 18.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -154.93 123.28 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -68.33 112.89 5.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.5 m -97.71 116.97 41.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.082 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -108.42 124.09 49.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.507 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 3.8 m-85 -75.27 100.22 4.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' PHE . 3.6 t70 -37.08 120.2 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.01 -48.73 0.94 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.536 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.507 ' CD1' ' HB3' ' A' ' 48' ' ' PHE . 57.3 m95 . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.333 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.89 0.376 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.06 140.68 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -144.44 151.63 39.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.966 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.424 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 47.8 m95 -77.29 105.53 8.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.3 tt -109.69 144.08 18.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.27 127.31 32.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.519 ' HB3' ' CD1' ' A' ' 14' ' ' PHE . . . -62.98 -12.97 29.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -106.57 9.05 31.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.7 t -69.4 141.09 90.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.693 0.759 . . . . 0.0 110.818 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -14.16 35.58 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.658 2.238 . . . . 0.0 112.304 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.48 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -79.94 -32.9 40.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.5 mt -66.69 126.38 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.46 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 95.2 m-70 -129.2 141.85 43.18 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.605 0.716 . . . . 0.0 110.881 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 156.21 64.08 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.716 2.277 . . . . 0.0 112.366 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.7 t -57.48 104.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.144 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 122.65 9.1 6.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.541 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.574 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 0.6 OUTLIER -70.76 -14.23 62.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.719 0.295 . . . . 0.0 110.916 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 30.1 p -63.85 -19.88 65.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 74' ' ' LYS . 5.1 m -91.31 -51.9 5.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 73' ' ' SER . 16.4 mtpp -36.63 -63.19 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.8 p -79.76 -47.9 14.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.144 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.93 26.91 3.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.526 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.563 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 9.4 m-70 -97.22 144.66 28.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.614 0.721 . . . . 0.0 110.859 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 144.11 52.78 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.654 2.236 . . . . 0.0 112.309 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.5 tp -109.62 142.14 41.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -106.25 133.77 20.08 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.553 0.692 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 156.04 64.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.387 179.91 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.427 ' CE1' ' O ' ' A' ' 61' ' ' ALA . 41.1 m-85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.777 0.323 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -121.84 162.24 21.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -92.57 157.31 16.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt 66.93 25.09 9.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.853 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.9 ptt? -115.95 -176.72 3.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.461 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 43.9 mmtm -118.45 153.59 33.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -168.42 143.38 3.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 67' ' ' HIS . 90.7 mt-10 -81.31 114.51 20.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.829 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.444 HG13 ' N ' ' A' ' 23' ' ' VAL . 58.8 t -110.98 139.27 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.448 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 84.9 t -81.59 124.58 39.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 27' ' ' ASN . 21.1 t0 -63.06 114.3 3.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.509 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 3.1 mmmm -46.1 -58.13 3.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -60.14 -27.82 67.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 24' ' ' ASP . 23.8 m-20 -132.31 91.92 29.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.643 0.735 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.448 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.7 Cg_endo -69.77 -22.59 31.79 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.71 2.273 . . . . 0.0 112.327 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.8 mtt -88.66 15.17 8.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -136.53 127.69 28.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.578 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 37.0 mt -124.84 135.67 63.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.458 ' NH1' ' CZ2' ' A' ' 51' ' ' TRP . 14.8 mtp180 -134.12 176.8 8.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.461 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 55.9 t -74.7 148.85 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -137.76 161.42 36.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.045 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.3 m -130.82 114.92 15.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.6 102.55 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.6 -52.37 8.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -137.16 141.91 42.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.0 p -114.13 111.1 21.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -82.48 -176.55 6.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.466 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 1.2 m-20 -46.92 -63.63 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.466 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 3.2 m-70 -125.03 29.49 6.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -146.0 168.95 19.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.0 m -151.99 120.99 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -71.24 110.2 5.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.0 m -93.94 119.39 41.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.151 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -105.3 120.43 41.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.562 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 5.0 m-85 -82.98 92.43 7.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -43.72 132.78 4.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.96 -37.49 3.53 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.51 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.562 ' CD1' ' HB3' ' A' ' 48' ' ' PHE . 11.4 m95 . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.761 0.315 . . . . 0.0 110.921 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.403 ' O ' ' O ' ' A' ' 56' ' ' ASP . 9.5 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.869 0.366 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 55' ' ' TYR . 0.5 OUTLIER -38.53 158.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.851 179.896 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.509 ' CZ ' ' HD3' ' A' ' 25' ' ' LYS . 5.7 p90 -155.56 156.58 35.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 46.4 m95 -79.29 107.54 12.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.974 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 15.8 tt -112.35 141.21 28.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.13 129.96 42.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.427 ' O ' ' CE1' ' A' ' 14' ' ' PHE . . . -63.45 -24.03 67.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -98.96 19.45 15.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.5 t -78.65 140.69 59.48 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.639 0.733 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -22.9 31.34 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.668 2.245 . . . . 0.0 112.343 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -72.46 -28.04 62.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 56.6 mt -75.0 127.57 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.179 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.467 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 90.8 m-70 -129.1 143.29 48.22 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.597 0.713 . . . . 0.0 110.831 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 166.11 28.74 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.649 2.233 . . . . 0.0 112.367 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 37.6 t -65.4 100.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 126.65 13.96 2.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.578 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 0.5 OUTLIER -77.79 -16.79 58.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.719 0.295 . . . . 0.0 110.892 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.405 ' HA ' ' CE3' ' A' ' 71' ' ' TRP . 25.4 p -65.05 -31.52 72.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 74' ' ' LYS . 1.5 t -84.53 -63.27 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.439 ' CG ' HG22 ' A' ' 75' ' ' THR . 16.8 ptmt -35.61 -36.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.474 HG21 ' CE2' ' A' ' 71' ' ' TRP . 21.7 p -99.77 -42.28 6.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.58 32.16 4.92 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 2.6 m80 -102.28 145.24 30.16 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.575 0.702 . . . . 0.0 110.825 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 129.4 17.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.637 2.225 . . . . 0.0 112.319 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.7 tp -100.76 148.2 25.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -120.63 129.76 25.16 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 110.933 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 158.96 55.17 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.656 2.237 . . . . 0.0 112.374 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.217 0 C-N-CA 122.669 2.246 . . . . 0.0 112.319 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.46 ' CZ ' HG23 ' A' ' 66' ' ' ILE . 52.2 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.797 0.332 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -119.86 160.42 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -87.29 160.47 18.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp 62.94 29.92 16.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 16.6 ptt? -121.7 173.08 7.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.429 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 22.4 mmtp -111.15 152.59 26.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.453 ' CD1' HG22 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -166.57 139.09 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.463 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 61.4 mt-10 -81.48 119.19 23.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.7 t -112.06 130.93 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.16 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.1 t -72.63 114.84 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.468 ' OD1' ' CZ ' ' A' ' 26' ' ' ARG . 7.7 t0 -51.17 111.63 0.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -48.63 -58.87 4.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.468 ' CZ ' ' OD1' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -51.73 -35.13 41.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.448 ' OD1' ' C ' ' A' ' 26' ' ' ARG . 3.9 m-20 -134.87 101.6 11.53 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.664 0.745 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -2.97 11.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.298 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 70.7 mtm -104.86 14.95 28.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -136.63 120.46 17.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.493 HD11 ' CZ3' ' A' ' 71' ' ' TRP . 51.3 mt -119.86 138.57 50.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.46 ' N ' HG23 ' A' ' 31' ' ' ILE . 80.3 mtt85 -135.51 179.29 6.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.439 HG11 ' N ' ' A' ' 34' ' ' ALA . 96.5 t -82.23 148.33 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.439 ' N ' HG11 ' A' ' 33' ' ' VAL . . . -138.93 145.48 39.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.8 m -115.66 110.21 18.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.03 103.24 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.34 -53.93 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -132.39 133.16 43.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.3 p -104.72 109.29 21.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.164 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.523 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 3.2 t70 -73.81 -174.71 1.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.99 -45.57 73.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.469 ' H ' ' CD2' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -124.99 8.3 8.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 40' ' ' ASP . 11.9 mtt85 -141.6 169.96 16.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.8 m -148.97 119.05 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -62.08 122.51 15.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.9 m -111.99 114.33 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -98.86 140.33 33.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.569 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 4.9 m-85 -95.35 95.33 8.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 48' ' ' PHE . 11.7 t0 -36.53 135.91 0.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.91 -43.02 3.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.498 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.569 ' CD1' ' HB3' ' A' ' 48' ' ' PHE . 57.6 m95 . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.332 . . . . 0.0 110.879 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.918 0.39 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -39.38 159.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -165.14 153.52 11.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.523 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 58.8 m95 -79.49 104.79 10.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 15.9 tt -105.48 144.88 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.18 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.03 120.09 13.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.417 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -56.09 -28.6 58.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -93.17 21.31 6.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.9 t -81.61 138.04 47.65 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 110.847 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -16.0 37.18 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.707 2.271 . . . . 0.0 112.326 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.99 -37.53 54.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.46 HG23 ' CZ ' ' A' ' 14' ' ' PHE . 36.4 mt -62.02 123.75 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.519 ' HB3' ' CG ' ' A' ' 71' ' ' TRP . 95.2 m-70 -125.67 147.67 59.23 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.569 0.699 . . . . 0.0 110.863 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 163.66 37.43 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.8 t -58.1 -29.35 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.14 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.83 18.76 49.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.519 ' CG ' ' HB3' ' A' ' 67' ' ' HIS . 87.5 t90 -70.63 -45.46 65.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.745 0.307 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 14.0 p -47.54 -32.5 5.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.1 m -85.78 -59.11 2.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -42.68 -41.98 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.505 HG22 ' CE2' ' A' ' 71' ' ' TRP . 61.6 p -93.14 -55.16 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 110.26 35.82 2.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.44 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.517 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 3.8 m80 -107.52 148.6 37.53 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 128.93 16.74 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 0.0 112.375 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 25.2 tp -95.48 143.84 26.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -101.34 132.89 21.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.576 0.703 . . . . 0.0 110.917 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 149.44 66.63 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.673 2.249 . . . . 0.0 112.304 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 C--O 1.232 0.21 0 C-N-CA 122.724 2.282 . . . . 0.0 112.304 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 61' ' ' ALA . 42.1 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.866 0.365 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -121.62 166.61 13.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -89.35 149.68 22.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.0 mttt 68.83 27.62 5.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.58 179.88 4.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.469 ' CB ' HG22 ' A' ' 69' ' ' VAL . 28.6 mmtt -122.55 138.15 54.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.424 ' CD1' HG22 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -155.56 140.01 16.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 67' ' ' HIS . 86.7 mt-10 -81.32 116.0 20.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.9 t -108.25 135.61 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.2 t -81.16 123.08 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -60.66 128.97 39.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 26' ' ' ARG . 24.6 mmtt -62.75 -54.33 40.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.54 ' NE ' ' H ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -56.54 -31.81 64.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -135.0 94.03 16.62 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.604 0.716 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -5.18 15.59 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.665 2.243 . . . . 0.0 112.379 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.4 mtm -100.25 9.63 42.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -132.29 136.72 47.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.602 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 20.4 mt -129.18 144.45 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.3 mtt85 -141.69 160.36 40.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.3 t -65.8 145.91 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -133.57 167.77 19.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.3 m -140.58 116.69 10.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.5 t -62.53 102.88 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.98 -42.42 17.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.092 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -141.38 133.81 28.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.2 p -107.91 112.79 25.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.54 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 6.5 t70 -88.52 -175.61 5.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -49.21 -63.34 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -124.98 28.45 6.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -146.7 169.97 17.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.0 m -153.84 118.27 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -64.97 111.1 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 m -92.05 121.11 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 32.1 t60 -103.64 117.88 35.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' ASP . 4.2 m-85 -76.81 97.98 4.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' PHE . 26.3 t70 -35.66 138.03 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.47 -68.13 3.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.489 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 62.4 m95 . . . . . 0 C--N 1.327 -0.37 0 CA-C-O 120.836 0.351 . . . . 0.0 110.882 -179.899 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.831 0.348 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.402 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 0.9 OUTLIER -54.99 156.46 3.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -157.09 155.73 31.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.54 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 39.7 m95 -80.8 106.03 12.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.947 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.414 HD12 ' NZ ' ' A' ' 25' ' ' LYS . 14.6 tt -108.57 145.52 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.113 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.44 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 7.8 m-20 -73.2 126.39 29.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.478 ' HB3' ' CD1' ' A' ' 14' ' ' PHE . . . -59.26 -20.41 54.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -96.65 5.49 50.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.3 t -65.29 142.15 98.38 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.705 0.764 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -26.86 27.17 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.65 2.233 . . . . 0.0 112.384 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.429 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 0.6 OUTLIER -68.89 -36.03 77.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.44 ' CD1' ' O ' ' A' ' 60' ' ' ASP . 56.7 mt -60.92 118.04 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.073 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 98.2 m-70 -121.96 142.02 35.43 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.561 0.696 . . . . 0.0 110.851 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 157.91 58.79 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.667 2.244 . . . . 0.0 112.34 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.469 HG22 ' CB ' ' A' ' 19' ' ' LYS . 18.0 t -58.56 104.8 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 121.32 11.51 6.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.451 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.602 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 1.2 t90 -70.27 -14.4 62.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.817 0.342 . . . . 0.0 110.958 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 17.3 p -64.56 -22.42 66.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 74' ' ' LYS . 3.1 m -81.0 -56.3 4.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 73' ' ' SER . 8.2 mtpm? -35.24 -73.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.404 HG22 ' CZ2' ' A' ' 71' ' ' TRP . 19.0 p -73.6 -30.25 62.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.75 26.0 23.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.566 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 0.7 OUTLIER -85.54 144.83 40.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.611 0.72 . . . . 0.0 110.832 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 129.85 18.29 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.695 2.263 . . . . 0.0 112.301 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 22.1 tp -96.44 154.28 17.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -118.1 125.48 27.91 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.526 0.679 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 161.74 44.78 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.233 0.231 0 C-N-CA 122.657 2.238 . . . . 0.0 112.372 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.418 ' CZ ' HG23 ' A' ' 66' ' ' ILE . 46.8 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.824 0.345 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.442 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 55.0 mt-30 -116.82 179.04 4.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -105.02 152.71 22.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 72.0 mttt 66.78 25.09 9.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.442 ' CE ' HG22 ' A' ' 36' ' ' VAL . 11.3 ptt? -113.44 -174.98 2.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.413 ' C ' HG21 ' A' ' 69' ' ' VAL . 32.2 mmtm -117.47 144.33 45.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.427 ' CD1' HG22 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -157.82 148.67 21.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 67' ' ' HIS . 9.3 mm-40 -91.09 140.46 29.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 23' ' ' VAL . 61.8 t -134.67 138.82 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.468 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 94.4 t -81.34 119.01 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 27' ' ' ASN . 2.4 t70 -52.23 116.03 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -47.32 -58.66 3.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.93 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -62.97 -28.93 70.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 24' ' ' ASP . 3.9 m120 -126.24 91.89 46.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.627 0.727 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.468 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.3 Cg_endo -69.76 -5.66 16.75 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.725 2.283 . . . . 0.0 112.342 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 20.4 mtt -106.01 11.59 31.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -136.51 126.7 26.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.522 HD11 ' CZ3' ' A' ' 71' ' ' TRP . 14.5 mt -121.92 139.69 48.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.161 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.449 ' C ' ' OE1' ' A' ' 21' ' ' GLU . 66.9 mtt85 -131.2 153.16 49.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.41 ' CG2' ' OE2' ' A' ' 21' ' ' GLU . 75.9 t -62.2 146.29 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 20' ' ' LEU . . . -131.41 172.93 11.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.8 m -137.67 112.21 8.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.442 ' CG1' ' O ' ' A' ' 15' ' ' GLN . 21.7 t -62.48 104.11 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.81 -41.73 17.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -148.0 136.61 21.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 78.1 p -109.16 113.0 25.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.137 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.438 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 9.9 t70 -84.35 -179.38 7.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -42.74 -57.58 2.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -133.19 32.61 3.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -147.53 169.68 19.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.9 m -152.46 118.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -66.59 104.28 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.5 m -88.45 113.18 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -101.09 116.04 31.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -75.41 106.39 6.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -43.62 127.81 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.88 -58.93 3.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.443 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 67.1 m95 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.822 0.344 . . . . 0.0 110.873 -179.852 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 56' ' ' ASP . 35.4 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.901 0.382 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -34.94 151.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 179.885 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -160.93 154.0 21.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.438 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 52.9 m95 -77.09 105.54 8.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.946 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 17.0 tt -111.57 143.29 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.424 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 78.8 m-20 -66.14 125.33 25.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.411 ' O ' ' CE1' ' A' ' 14' ' ' PHE . . . -59.45 -26.73 65.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -92.49 6.91 45.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.4 t -59.72 139.17 89.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.676 0.751 . . . . 0.0 110.868 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -15.14 36.87 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.709 2.273 . . . . 0.0 112.301 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.57 -32.78 21.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.424 ' CD1' ' O ' ' A' ' 60' ' ' ASP . 56.3 mt -65.1 124.71 20.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 21' ' ' GLU . 99.0 m-70 -126.97 142.15 42.79 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.606 0.717 . . . . 0.0 110.854 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 153.26 69.28 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.413 HG21 ' C ' ' A' ' 19' ' ' LYS . 11.4 t -48.01 -20.66 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.96 33.09 6.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.565 ' CH2' ' HB2' ' A' ' 77' ' ' HIS . 64.9 t90 -94.74 -50.63 5.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.782 0.325 . . . . 0.0 110.967 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.0 p -41.9 -42.51 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 74' ' ' LYS . 36.9 m -78.42 -57.7 3.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 73' ' ' SER . 23.5 mtpp -36.96 -55.19 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.418 HG22 ' NE1' ' A' ' 71' ' ' TRP . 76.7 p -83.5 -44.7 14.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.16 27.76 5.77 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.538 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.565 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 9.9 m-70 -93.3 145.17 29.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.624 0.726 . . . . 0.0 110.805 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 122.84 9.53 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.419 HD12 ' CD ' ' A' ' 21' ' ' GLU . 21.8 tp -94.04 152.36 18.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -115.1 134.49 22.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.585 0.707 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.55 68.25 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.338 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.22 0 C-N-CA 122.706 2.271 . . . . 0.0 112.347 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.815 0.341 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -120.57 162.3 19.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -87.47 149.99 24.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.6 mttp 68.88 25.79 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.469 ' CE ' HG22 ' A' ' 36' ' ' VAL . 12.2 ptt? -110.8 173.78 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.456 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 40.1 mmtm -114.55 149.19 36.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.444 HD11 ' CG2' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -164.2 140.51 6.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 67' ' ' HIS . 84.5 mt-10 -81.34 116.81 21.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.444 ' CG2' HD11 ' A' ' 20' ' ' LEU . 59.8 t -110.35 138.92 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.119 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.465 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 98.6 t -81.98 114.3 22.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 27' ' ' ASN . 19.7 t0 -52.72 109.38 0.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 1.7 mmmm -43.3 -58.94 2.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -57.86 -34.53 69.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 24' ' ' ASP . 1.6 m-20 -126.98 90.59 49.1 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.465 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.7 Cg_endo -69.75 -14.81 36.65 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.362 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -92.35 11.96 24.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -135.22 135.59 41.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.826 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.559 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 34.1 mt -129.27 143.45 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.421 ' N ' HG23 ' A' ' 31' ' ' ILE . 44.3 mtt180 -140.82 178.24 7.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.456 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 76.0 t -85.2 137.2 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.423 ' N ' HG12 ' A' ' 33' ' ' VAL . . . -121.3 161.71 21.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.4 m -129.96 106.11 8.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.13 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.469 HG22 ' CE ' ' A' ' 18' ' ' MET . 11.7 t -56.95 104.0 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.12 -49.47 8.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -135.74 134.63 39.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.2 p -107.05 110.71 22.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 43' ' ' ARG . 12.4 t0 -75.55 -174.76 2.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.824 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.86 -39.2 83.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.456 ' CD2' ' N ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -132.24 9.76 4.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 40' ' ' ASP . 17.0 mtt85 -142.25 173.4 11.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.1 m -152.66 118.93 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.178 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -64.2 119.17 9.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.6 m -103.91 117.09 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -104.72 121.08 42.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -76.91 115.31 16.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -49.49 125.53 11.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.78 -45.34 2.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.45 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 11.8 m0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 110.916 -179.903 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 56' ' ' ASP . 74.0 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.897 0.379 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 55' ' ' TYR . 2.8 m-20 -36.53 147.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.415 ' CZ ' ' HD3' ' A' ' 25' ' ' LYS . 4.1 p90 -156.42 145.99 20.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.975 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.476 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 50.9 m95 -72.65 105.37 4.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.1 tt -107.39 142.43 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.65 129.55 40.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.07 -27.31 68.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.68 23.26 8.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.8 t -78.89 141.53 59.3 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.661 0.743 . . . . 0.0 110.828 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -22.55 31.71 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.326 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.44 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 0.1 OUTLIER -74.9 -33.13 61.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.0 mt -64.56 123.74 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.135 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.53 ' HB3' ' CD1' ' A' ' 71' ' ' TRP . 85.0 m-70 -128.88 143.39 48.47 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.611 0.719 . . . . 0.0 110.842 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 158.43 57.02 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.347 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.5 t -50.2 -24.69 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -96.59 38.08 3.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.559 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 84.4 t90 -94.01 -61.44 1.53 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.756 0.312 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 30.1 p -41.13 -24.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' TRP . 47.7 m -91.18 -61.43 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.554 ' HE2' ' CD1' ' A' ' 71' ' ' TRP . 26.4 pttt -46.38 -33.54 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.51 HG21 ' CE2' ' A' ' 71' ' ' TRP . 36.1 p -99.8 -15.45 18.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.95 25.15 75.94 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.527 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 8.6 m-70 -91.53 151.13 42.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 141.45 44.93 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.0 tp -116.49 155.6 28.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -115.06 131.84 23.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.728 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 149.32 66.79 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.731 2.287 . . . . 0.0 112.377 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.193 0 C-N-CA 122.709 2.273 . . . . 0.0 112.331 179.952 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.817 0.341 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -139.72 165.42 27.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -93.18 156.3 16.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.5 mttm 63.97 27.27 14.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.3 ptt? -113.97 172.52 6.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.881 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.434 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 35.6 mmtm -110.03 146.59 35.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -164.07 141.0 6.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.462 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 81.2 mt-10 -81.64 116.26 21.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.1 t -109.2 139.45 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.15 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.8 t -80.06 115.25 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -53.25 115.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.422 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 10.8 mmmt -51.25 -58.4 6.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -56.18 -30.93 62.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -131.84 92.71 29.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.658 0.742 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -4.69 14.52 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 35.5 mtm -103.1 12.02 36.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -135.41 131.62 36.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.537 HD13 ' CZ3' ' A' ' 71' ' ' TRP . 39.5 mt -127.91 136.55 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.189 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.6 mtt85 -137.97 165.14 27.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 34' ' ' ALA . 86.2 t -66.08 144.12 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.435 ' N ' HG13 ' A' ' 33' ' ' VAL . . . -128.99 172.46 11.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.113 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.3 m -138.09 112.4 8.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.8 t -66.92 104.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.11 -43.67 23.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.044 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -148.86 142.89 25.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 65.2 p -112.32 116.05 29.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.469 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 6.2 t70 -86.69 -176.47 5.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -44.48 -61.09 1.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -129.06 27.98 5.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.1 mtm-85 -141.89 170.05 16.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.8 m -153.79 118.68 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -67.12 108.71 2.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.7 m -98.85 116.46 41.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -104.96 132.6 51.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -87.21 130.8 34.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -79.67 141.87 36.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.62 -30.01 3.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.514 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 15.4 m0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 110.934 -179.918 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.457 ' O ' ' C ' ' A' ' 56' ' ' ASP . 76.4 m-85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.919 0.39 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.457 ' C ' ' O ' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -33.96 130.03 0.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -143.19 149.3 37.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.469 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 51.6 m95 -80.15 105.06 11.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.448 ' CG2' HD12 ' A' ' 66' ' ' ILE . 14.0 tt -107.25 136.11 43.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.72 124.77 21.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.25 -20.69 63.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.054 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -95.99 6.11 49.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.5 t -69.09 136.45 89.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.667 0.746 . . . . 0.0 110.893 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -9.66 26.68 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.753 2.302 . . . . 0.0 112.371 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.07 -31.89 39.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.448 HD12 ' CG2' ' A' ' 59' ' ' ILE . 41.5 mt -71.64 130.96 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.463 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 94.8 m-70 -129.14 143.11 47.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.586 0.707 . . . . 0.0 110.85 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 158.24 57.61 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.0 t -59.28 101.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 122.16 16.2 4.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.558 ' CH2' ' HB2' ' A' ' 77' ' ' HIS . 1.7 t90 -74.18 -18.75 60.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.769 0.318 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.1 p -54.82 -40.89 70.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 74' ' ' LYS . 38.2 t -77.06 -48.94 16.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' SER . 24.6 mtpp -37.17 -61.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.6 p -83.74 -44.17 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.2 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.88 28.53 3.12 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.558 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 8.1 m80 -102.29 143.51 26.75 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.585 0.707 . . . . 0.0 110.837 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 137.72 36.13 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.4 tp -102.68 138.97 38.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -100.57 130.98 24.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.615 0.722 . . . . 0.0 110.935 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 150.27 68.06 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.172 0 C-N-CA 122.656 2.238 . . . . 0.0 112.387 179.912 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.525 ' CE2' HG21 ' A' ' 66' ' ' ILE . 40.0 m-85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.794 0.331 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -125.11 170.16 11.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.458 ' CE ' ' HA ' ' A' ' 38' ' ' ASP . 19.1 mttt -89.39 147.64 23.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.0 mttt 67.94 33.56 4.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 10.0 ptt? -120.19 174.81 6.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.464 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 20.0 mmtp -111.11 147.67 34.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.434 ' CD1' HG23 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -164.66 139.55 5.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.463 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 89.0 mt-10 -84.53 123.66 30.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.9 t -116.54 139.42 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.45 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 95.5 t -79.09 118.94 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -56.83 106.94 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -42.17 -58.37 2.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.7 ptt85 -54.3 -41.04 68.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -126.98 95.96 35.74 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.634 0.731 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.45 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 54.5 Cg_endo -69.72 -3.11 11.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.262 . . . . 0.0 112.398 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -101.9 12.31 37.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -136.25 122.06 19.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.566 ' CD1' ' CH2' ' A' ' 71' ' ' TRP . 34.3 mt -121.09 138.15 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -137.66 168.22 20.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.464 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 59.3 t -74.21 139.8 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.46 ' N ' HG12 ' A' ' 33' ' ' VAL . . . -123.23 174.2 7.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.8 m -138.63 112.16 8.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.154 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.1 t -64.35 103.98 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.27 -45.76 19.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.458 ' HA ' ' CE ' ' A' ' 16' ' ' LYS . 5.8 t0 -146.85 138.62 24.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 70.4 p -104.42 109.29 21.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 2.0 t70 -77.2 179.06 6.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -47.76 -57.22 5.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -128.28 17.78 6.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 40' ' ' ASP . 37.4 mtt85 -138.69 170.99 15.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.8 m -150.16 131.29 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.146 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -76.79 107.59 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.5 m -93.0 113.74 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -105.36 125.54 51.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -81.56 117.11 21.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -47.57 117.47 1.83 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.92 -40.83 2.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 12.3 m0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.31 . . . . 0.0 110.964 -179.952 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.443 ' O ' ' C ' ' A' ' 56' ' ' ASP . 10.1 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.875 0.369 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 55' ' ' TYR . 2.2 m-20 -34.21 148.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.902 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -154.9 148.23 25.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.487 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 46.1 m95 -75.66 105.16 6.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 16.2 tt -107.62 143.6 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 63' ' ' SER . 4.7 m-20 -72.32 121.69 19.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.24 -37.82 65.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -72.48 1.99 7.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 60' ' ' ASP . 20.5 t -67.75 133.73 92.38 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.712 0.767 . . . . 0.0 110.841 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -23.81 30.62 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -65.67 -34.24 77.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.525 HG21 ' CE2' ' A' ' 14' ' ' PHE . 83.4 mt -63.29 130.46 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.48 ' HB3' ' CG ' ' A' ' 71' ' ' TRP . 87.5 m-70 -129.11 142.32 44.79 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.544 0.688 . . . . 0.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 153.96 68.41 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.6 t -45.68 -29.12 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.143 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.31 45.56 1.54 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.566 ' CH2' ' CD1' ' A' ' 31' ' ' ILE . 81.3 t90 -95.14 -53.31 3.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.789 0.328 . . . . 0.0 110.921 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 71' ' ' TRP . 32.0 p -35.85 -39.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 74' ' ' LYS . 13.3 p -72.66 -64.56 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' SER . 14.7 mtpp -34.28 -66.94 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.6 p -75.44 -20.06 59.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.9 33.38 57.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.519 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.427 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 5.1 m-70 -99.06 150.98 37.2 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 0.0 110.826 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 148.57 64.95 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.306 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 29.7 tp -118.66 150.16 40.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -108.98 132.15 21.36 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.556 0.693 . . . . 0.0 110.96 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 149.73 67.45 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.349 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.38 179.918 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.815 0.34 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -125.88 174.6 8.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -102.25 156.14 17.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.4 mtmt 66.18 25.24 10.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 15.7 ptt? -113.28 172.5 6.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.44 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 20.9 mmtp -112.37 145.99 39.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.99 140.76 6.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.455 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 69.9 mt-10 -81.3 115.43 20.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.3 t -108.31 146.63 13.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.454 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 54.2 t -85.63 118.25 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.122 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -51.13 134.23 27.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -69.69 -38.9 77.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.752 ' HE ' ' N ' ' A' ' 26' ' ' ARG . 0.8 OUTLIER -66.68 -38.26 86.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -138.51 104.99 7.69 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.579 0.704 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.454 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 54.2 Cg_endo -69.7 -3.03 11.16 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.347 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.2 mmt -97.17 8.25 44.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -131.24 133.45 45.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.644 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 23.7 mt -129.1 140.7 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.088 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.451 ' NH2' ' O ' ' A' ' 81' ' ' PRO . 17.2 mtp85 -141.23 171.92 13.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.819 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.44 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 68.4 t -72.18 145.85 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -131.23 168.9 16.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 84.8 m -139.68 107.2 5.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.9 t -62.22 102.83 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.106 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.94 -47.6 16.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -140.56 145.33 36.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.432 HG23 ' CG1' ' A' ' 44' ' ' VAL . 74.5 p -115.97 121.32 41.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.521 ' OD1' ' CH2' ' A' ' 58' ' ' TRP . 5.8 m-20 -92.49 -175.24 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -45.77 -63.3 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -127.01 32.11 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.9 mtt85 -146.5 168.35 21.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.432 ' CG1' HG23 ' A' ' 39' ' ' THR . 4.2 m -151.24 118.31 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -65.61 109.45 2.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.9 m -99.1 114.5 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -101.26 138.83 37.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -94.28 102.64 14.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -45.17 123.69 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 103.3 -45.82 1.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 30.0 m95 . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 120.831 0.348 . . . . 0.0 110.884 -179.905 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.449 ' O ' ' C ' ' A' ' 56' ' ' ASP . 35.3 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.859 0.361 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 55' ' ' TYR . 17.9 m-20 -34.41 144.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -150.68 155.89 40.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.521 ' CH2' ' OD1' ' A' ' 40' ' ' ASP . 47.8 m95 -86.15 105.54 16.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.415 ' CG2' HD12 ' A' ' 66' ' ' ILE . 16.2 tt -105.23 144.29 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.78 125.1 24.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.09 -24.86 64.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -94.54 17.14 13.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.1 t -81.64 136.8 48.1 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.63 0.729 . . . . 0.0 110.875 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -16.63 37.55 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.374 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.41 -32.94 70.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.415 HD12 ' CG2' ' A' ' 59' ' ' ILE . 66.5 mt -68.06 129.08 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.458 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 93.3 m-70 -129.09 142.74 46.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.609 0.719 . . . . 0.0 110.871 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 158.91 55.36 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.695 2.263 . . . . 0.0 112.339 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.5 t -60.16 103.48 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.089 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 123.77 6.7 7.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.644 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 3.0 t90 -66.56 -14.65 62.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.336 . . . . 0.0 110.969 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 16.7 p -70.02 -24.64 63.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.1 m -88.93 -50.44 6.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -39.26 -65.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.8 p -77.64 -43.17 32.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 110.08 29.11 3.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.471 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 4.1 m80 -94.19 145.83 30.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.582 0.706 . . . . 0.0 110.835 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 139.07 39.33 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.638 2.225 . . . . 0.0 112.37 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.4 tp -108.21 140.46 41.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.952 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -105.9 127.45 28.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.628 0.728 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.451 ' O ' ' NH2' ' A' ' 32' ' ' ARG . 53.6 Cg_endo -69.8 154.73 67.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.325 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.453 ' CE1' ' O ' ' A' ' 61' ' ' ALA . 32.0 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.785 0.326 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -115.56 166.15 12.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -94.0 154.45 17.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.6 mttm 68.4 24.98 7.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.915 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.406 ' CE ' HG22 ' A' ' 36' ' ' VAL . 11.7 ptt? -114.19 178.14 4.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.427 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 21.6 mmtm -115.19 152.61 32.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.945 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.421 ' CD1' HG21 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -167.0 140.71 3.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.423 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 75.1 mt-10 -81.16 117.47 21.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 23' ' ' VAL . 42.7 t -113.08 142.1 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.454 ' N ' HG12 ' A' ' 22' ' ' VAL . 92.0 t -83.56 118.08 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -56.12 121.25 8.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -54.17 -58.26 8.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.519 ' NH1' ' CE1' ' A' ' 55' ' ' TYR . 7.6 ptm180 -53.03 -35.88 59.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -133.0 96.06 18.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.447 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.6 Cg_endo -69.74 -9.74 26.87 Favored 'Trans proline' 0 N--CA 1.466 -0.128 0 C-N-CA 122.738 2.292 . . . . 0.0 112.35 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.4 mtt -94.84 13.39 24.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -135.84 129.44 32.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.512 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 28.9 mt -125.0 130.2 73.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -130.18 168.92 16.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.427 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 50.2 t -69.94 150.15 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -136.85 167.37 21.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.5 m -135.09 112.51 10.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.406 HG22 ' CE ' ' A' ' 18' ' ' MET . 35.7 t -60.71 103.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.23 -55.36 5.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.092 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.411 ' HB3' ' CH2' ' A' ' 58' ' ' TRP . 2.3 t70 -139.26 135.43 33.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 70.3 p -104.85 110.38 22.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.461 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 9.9 t0 -83.62 -178.22 6.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -41.57 -68.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -123.9 33.44 5.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.3 mtt85 -148.13 173.57 12.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.6 m -156.66 121.19 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -72.41 103.85 3.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.9 m -82.72 120.68 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -103.87 119.08 38.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.825 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.798 ' CD2' ' CZ2' ' A' ' 51' ' ' TRP . 83.6 m-85 -85.75 103.64 14.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -57.54 126.92 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.71 -42.18 1.97 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.798 ' CZ2' ' CD2' ' A' ' 48' ' ' PHE . 18.9 m0 . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 120.727 0.298 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.519 ' CE1' ' NH1' ' A' ' 26' ' ' ARG . 7.3 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.914 0.388 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 55' ' ' TYR . 0.6 OUTLIER -34.55 150.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -152.88 167.51 28.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.461 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 53.6 m95 -84.13 105.89 15.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 16.9 tt -111.34 143.04 21.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.162 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.437 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 2.2 m-20 -66.01 127.81 33.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.453 ' O ' ' CE1' ' A' ' 14' ' ' PHE . . . -61.71 -25.46 67.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.89 14.57 21.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 t -72.95 140.95 81.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.617 0.722 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -20.14 35.55 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.45 -28.8 52.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.437 ' CD1' ' O ' ' A' ' 60' ' ' ASP . 54.2 mt -71.67 124.13 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.46 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 98.2 m-70 -125.72 142.55 42.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.714 . . . . 0.0 110.868 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 164.95 32.65 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.322 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.1 t -64.97 97.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.79 18.01 2.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.515 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.512 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 1.4 t90 -76.1 -23.77 54.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.783 0.325 . . . . 0.0 110.93 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.428 ' HA ' ' CE3' ' A' ' 71' ' ' TRP . 26.9 p -50.89 -43.05 59.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 74' ' ' LYS . 3.8 m -72.26 -51.52 20.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 73' ' ' SER . 47.2 mtpt -35.18 -65.45 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.7 p -78.21 -47.33 18.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.04 32.68 1.8 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.519 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.507 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 0.6 OUTLIER -108.69 149.66 39.75 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.563 0.697 . . . . 0.0 110.85 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 147.35 62.7 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.679 2.253 . . . . 0.0 112.394 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.3 tp -114.83 147.14 40.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -112.29 131.52 22.54 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.547 0.689 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.37 60.63 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.648 2.232 . . . . 0.0 112.392 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.233 0.227 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.412 ' CD2' ' HE1' ' A' ' 18' ' ' MET . 5.4 m-85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.786 0.327 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -128.36 161.95 28.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.432 ' NZ ' ' HB2' ' A' ' 16' ' ' LYS . 1.7 mtmp? -90.71 163.82 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? 61.81 25.15 15.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.412 ' HE1' ' CD2' ' A' ' 14' ' ' PHE . 9.7 ptt? -114.75 -178.5 3.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.472 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 40.9 mmtm -119.81 147.6 44.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.462 ' CD1' HG21 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -159.57 139.59 11.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.47 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 52.1 mt-10 -81.03 115.69 20.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.462 HG21 ' CD1' ' A' ' 20' ' ' LEU . 21.7 t -109.84 147.64 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.456 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 98.9 t -90.67 114.26 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 27' ' ' ASN . 21.1 t0 -52.86 107.99 0.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 10.6 mmmt -42.04 -52.49 4.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -63.27 -28.23 69.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' ASP . 48.9 m-20 -131.24 91.3 35.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.456 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.8 Cg_endo -69.77 -7.17 20.38 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.692 2.261 . . . . 0.0 112.307 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 26.0 mmt -105.55 14.38 28.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -136.57 127.19 27.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.542 HD12 ' CZ3' ' A' ' 71' ' ' TRP . 43.0 mt -122.92 133.92 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.436 ' N ' HG23 ' A' ' 31' ' ' ILE . 93.5 mtt180 -127.35 -175.0 3.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.472 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 25.4 t -87.9 142.1 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.16 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -131.72 162.01 31.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.5 m -133.17 114.8 14.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.138 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.9 t -60.06 102.47 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.32 -54.43 6.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -139.59 133.37 30.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.1 p -102.87 109.26 20.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 43' ' ' ARG . 29.7 m-20 -83.97 -177.29 6.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.557 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 26.1 m-20 -38.3 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.557 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 3.9 m-70 -121.04 34.23 5.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 40' ' ' ASP . 24.4 mtt85 -148.55 161.72 41.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.3 m -142.93 117.86 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -66.22 108.03 2.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.4 m -89.2 113.26 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.439 ' ND1' ' OD2' ' A' ' 56' ' ' ASP . 7.7 t60 -101.12 118.17 36.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.573 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 7.5 m-85 -83.17 112.26 19.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 82' ' ' PRO . 1.6 t70 -61.61 134.15 56.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.67 -41.36 2.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.573 ' CD1' ' HB3' ' A' ' 48' ' ' PHE . 18.1 m95 . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.811 0.338 . . . . 0.0 110.908 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.906 0.384 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.439 ' OD2' ' ND1' ' A' ' 47' ' ' HIS . 0.9 OUTLIER -39.15 159.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -155.34 162.66 40.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -82.08 105.54 13.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 16.1 tt -110.69 145.09 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.444 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 3.7 m-20 -70.66 126.46 29.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.38 -22.62 54.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -92.08 -2.86 56.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.0 t -54.82 137.02 64.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.652 0.739 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -18.31 37.24 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.622 2.215 . . . . 0.0 112.358 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.77 -26.86 40.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.444 ' CD1' ' O ' ' A' ' 60' ' ' ASP . 68.9 mt -71.26 126.18 31.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.503 ' HB3' ' CG ' ' A' ' 71' ' ' TRP . 91.5 m-70 -129.16 145.54 57.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.64 0.733 . . . . 0.0 110.863 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 158.79 55.69 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.654 2.236 . . . . 0.0 112.314 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.8 t -50.48 -30.53 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.02 40.46 2.54 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.453 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.559 ' CH2' ' HB2' ' A' ' 77' ' ' HIS . 70.3 t90 -91.03 -51.69 5.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.792 0.33 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 71' ' ' TRP . 31.9 p -35.94 -39.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 74' ' ' LYS . 66.7 m -68.3 -66.28 0.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 73' ' ' SER . 24.0 mttt -33.64 -70.71 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.508 HG22 ' CE2' ' A' ' 71' ' ' TRP . 1.5 p -68.77 -41.72 78.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.181 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.61 31.61 7.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.479 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.559 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 1.0 OUTLIER -97.17 145.6 29.9 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.836 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 123.81 10.48 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.653 2.235 . . . . 0.0 112.393 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.8 tp -90.79 145.96 24.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -116.02 134.28 22.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.623 0.725 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 168.72 20.83 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.425 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 54.0 Cg_endo . . . . . 0 C--O 1.233 0.228 0 C-N-CA 122.692 2.261 . . . . 0.0 112.394 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.417 ' CE1' ' O ' ' A' ' 61' ' ' ALA . 12.3 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.788 0.328 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -120.53 158.27 27.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -90.89 149.41 21.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.7 mttm 71.38 27.58 3.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.8 ptt? -111.62 177.85 4.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.474 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 39.2 mmtt -118.34 143.17 46.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.433 ' CD1' HG23 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -160.82 142.39 12.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.972 179.891 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.461 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 94.2 mt-10 -84.73 117.77 24.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.433 HG23 ' CD1' ' A' ' 20' ' ' LEU . 69.2 t -108.92 142.41 21.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.072 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.2 t -88.53 116.45 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -53.46 118.69 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.405 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 10.5 mmmt -51.89 -58.24 7.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -32.58 67.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -128.61 93.33 38.08 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.648 0.737 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -4.13 13.43 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.569 ' HG2' ' CD1' ' A' ' 30' ' ' PHE . 1.2 pmm? -107.81 16.69 23.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.569 ' CD1' ' HG2' ' A' ' 29' ' ' MET . 34.8 m-85 -134.95 112.01 10.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.532 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 44.4 mt -112.24 131.28 64.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.434 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 62.5 mtt85 -130.29 165.91 21.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 24.8 t -70.09 141.01 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -127.41 163.72 23.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.4 m -137.63 109.97 7.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.6 t -58.96 102.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.55 -50.29 8.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -138.1 130.13 28.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.834 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.3 p -99.74 109.97 22.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.551 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 9.2 t0 -76.95 -175.03 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.578 ' OD1' ' CD2' ' A' ' 42' ' ' HIS . 1.0 OUTLIER -49.33 -58.17 5.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.578 ' CD2' ' OD1' ' A' ' 41' ' ' ASP . 8.1 m-70 -125.26 -5.94 7.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 40' ' ' ASP . 52.4 mtt180 -112.38 166.88 10.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.8 m -147.21 124.64 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -68.13 121.02 15.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 m -107.84 115.29 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -102.71 130.38 49.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.434 ' CE2' ' HB2' ' A' ' 32' ' ' ARG . 3.4 m-85 -84.66 105.86 15.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -39.9 122.2 1.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.4 -63.27 1.17 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 70.7 m95 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.763 0.316 . . . . 0.0 110.931 -179.943 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.874 0.369 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -41.72 156.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -161.53 150.28 15.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.551 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 50.0 m95 -75.26 107.65 7.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 16.6 tt -111.95 146.63 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.118 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.456 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 12.2 m-20 -69.23 125.34 26.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.417 ' O ' ' CE1' ' A' ' 14' ' ' PHE . . . -62.59 -12.81 25.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -102.59 2.82 36.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.2 t -67.45 141.9 95.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.66 0.743 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -28.03 25.49 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.358 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.04 -36.16 80.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.456 ' CD1' ' O ' ' A' ' 60' ' ' ASP . 97.0 mt -64.0 122.34 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 97.1 m-70 -123.96 142.99 41.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.553 0.692 . . . . 0.0 110.894 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.77 59.25 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.329 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.0 t -59.17 103.89 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.86 5.42 6.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.543 ' CH2' ' HB2' ' A' ' 77' ' ' HIS . 1.5 t90 -66.86 -16.19 64.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.755 0.312 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 21.3 p -61.88 -30.22 70.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 74' ' ' LYS . 21.3 m -83.96 -53.73 5.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 73' ' ' SER . 39.0 mtmt -35.2 -67.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.446 HG22 ' CE2' ' A' ' 71' ' ' TRP . 43.7 p -74.58 -42.76 58.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.51 30.66 3.72 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.543 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 5.0 m80 -102.13 144.62 28.95 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.639 0.733 . . . . 0.0 110.815 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 136.38 32.89 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.723 2.282 . . . . 0.0 112.33 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.1 tp -99.94 146.21 26.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -107.92 127.65 27.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.639 0.733 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 164.29 35.09 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.357 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.188 0 C-N-CA 122.713 2.275 . . . . 0.0 112.369 179.914 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.488 ' CE1' ' O ' ' A' ' 61' ' ' ALA . 21.1 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -132.05 172.69 12.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -94.98 149.61 21.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt 69.33 27.83 4.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -115.0 -176.88 3.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 44.2 mmtm -122.01 150.23 42.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.66 141.07 5.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 67' ' ' HIS . 75.8 mt-10 -81.72 117.67 22.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.456 HG11 ' N ' ' A' ' 23' ' ' VAL . 41.3 t -112.71 144.02 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.466 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 90.4 t -85.53 128.16 39.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 27' ' ' ASN . 12.4 t0 -67.58 113.1 5.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 7.9 mmmt -45.4 -55.47 6.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.496 ' CZ ' ' HB3' ' A' ' 26' ' ' ARG . 0.2 OUTLIER -63.52 -29.19 70.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 24' ' ' ASP . 28.8 m-20 -131.66 90.82 35.68 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.656 0.741 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.466 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.7 Cg_endo -69.75 -20.23 35.15 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.633 2.222 . . . . 0.0 112.342 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.9 ptp -89.2 14.84 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -135.98 129.32 31.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.584 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 53.5 mt -127.11 134.61 65.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.153 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.7 mtt-85 -130.5 -176.03 3.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 34' ' ' ALA . 96.6 t -85.82 143.39 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.471 ' N ' HG13 ' A' ' 33' ' ' VAL . . . -132.52 145.09 50.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.3 m -116.82 113.57 22.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.8 t -60.47 102.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.96 -48.06 15.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -137.26 138.94 40.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.467 HG22 ' CG1' ' A' ' 44' ' ' VAL . 1.7 p -109.72 109.44 20.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.558 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 12.3 t0 -76.29 -174.69 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.1 -36.82 72.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.441 ' CD2' ' N ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -134.17 11.92 3.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.827 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' ASP . 11.9 mtt85 -146.18 172.02 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.467 ' CG1' HG22 ' A' ' 39' ' ' THR . 28.0 m -150.22 117.77 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -63.66 114.58 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.411 HG23 ' CG2' ' A' ' 59' ' ' ILE . 12.5 m -100.54 119.7 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.131 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 37.9 t60 -106.01 140.41 39.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.568 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 4.5 m-85 -95.57 105.0 16.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -43.46 124.83 3.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.75 -40.64 2.59 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.568 ' CD1' ' HB3' ' A' ' 48' ' ' PHE . 25.7 m95 . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 56' ' ' ASP . 98.1 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.828 0.346 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -34.69 130.19 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -144.1 156.01 44.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.558 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 52.3 m95 -80.51 104.97 11.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.414 HD13 ' NZ ' ' A' ' 25' ' ' LYS . 17.1 tt -105.83 144.4 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.097 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.459 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 3.9 m-20 -66.54 124.29 22.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.488 ' O ' ' CE1' ' A' ' 14' ' ' PHE . . . -58.19 -29.29 65.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -93.63 16.73 13.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.2 t -72.53 142.03 83.49 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.647 0.737 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -27.68 26.14 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.644 2.229 . . . . 0.0 112.31 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.488 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 1.8 m-20 -68.75 -33.34 73.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.459 ' CD1' ' O ' ' A' ' 60' ' ' ASP . 77.3 mt -63.56 125.51 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.513 ' HB3' ' CG ' ' A' ' 71' ' ' TRP . 92.2 m-70 -129.0 143.5 49.01 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.554 0.692 . . . . 0.0 110.897 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 152.62 69.15 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.2 t -45.03 -28.45 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.02 43.4 1.94 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.584 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 87.1 t90 -95.06 -53.86 3.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.735 0.302 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.4 p -39.41 -38.8 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 74' ' ' LYS . 22.9 t -76.44 -61.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 73' ' ' SER . 26.7 mtpt -38.24 -49.88 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.2 p -87.86 -47.51 8.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.48 34.35 3.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 6.5 m80 -101.65 150.12 37.03 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.612 0.72 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 134.99 29.43 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.404 HD11 ' CD ' ' A' ' 21' ' ' GLU . 22.5 tp -107.82 139.93 41.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -100.36 128.23 30.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 152.59 69.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.26 . . . . 0.0 112.402 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.325 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.857 0.36 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -136.05 161.98 34.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -83.44 148.69 27.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.8 mttt 64.91 34.38 9.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 10.9 ptt? -117.3 -179.03 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 32.4 mmtm -121.6 140.5 52.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.413 HD11 ' C ' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -157.25 141.93 16.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.452 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 88.0 mt-10 -81.83 122.2 27.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.7 t -114.99 141.88 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.433 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 78.0 t -84.99 116.01 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' ASN . 13.4 t0 -52.75 109.06 0.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 1.4 mmmm -42.08 -58.09 2.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -60.44 -33.73 72.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 24' ' ' ASP . 17.1 m-80 -124.17 92.16 48.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.655 0.741 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.433 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.7 Cg_endo -69.7 -15.34 37.25 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.564 ' HG3' ' CD1' ' A' ' 30' ' ' PHE . 18.5 ptp -95.51 14.15 23.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.564 ' CD1' ' HG3' ' A' ' 29' ' ' MET . 44.0 m-85 -135.03 130.38 35.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.529 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 36.6 mt -127.55 141.2 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 -142.26 164.12 31.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 91.6 t -67.82 145.54 13.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -131.31 170.03 15.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.06 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.6 m -138.38 116.27 11.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.3 t -67.55 103.19 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.08 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.87 -35.4 32.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -150.85 140.45 21.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.3 p -107.34 109.35 21.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.556 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 16.2 t70 -83.13 176.45 9.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -42.1 -66.24 0.37 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -123.59 27.95 7.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 40' ' ' ASP . 15.4 mtt85 -146.08 165.55 28.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.1 m -146.01 119.05 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.122 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.415 ' NZ ' ' CD1' ' A' ' 58' ' ' TRP . 13.2 tttp -64.9 112.18 3.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.2 m -99.84 114.08 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.131 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -103.9 127.75 51.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -81.77 103.77 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -38.98 124.17 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.93 -49.89 1.75 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 21.1 m95 . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.774 0.321 . . . . 0.0 110.904 -179.886 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 56' ' ' ASP . 11.6 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.876 0.369 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 1.0 OUTLIER -35.38 149.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -156.77 152.65 27.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.556 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 54.8 m95 -79.24 105.13 10.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.976 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 15.8 tt -108.21 140.2 27.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.162 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.8 121.38 14.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.12 -18.25 14.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -95.28 -12.97 25.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.815 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.2 t -48.08 135.78 11.55 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.88 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -11.44 30.86 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.332 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.49 -25.94 35.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 86.0 mt -74.65 129.78 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.456 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 95.7 m-70 -129.07 141.64 42.45 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.541 0.686 . . . . 0.0 110.896 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 165.05 32.3 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.685 2.257 . . . . 0.0 112.32 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.9 t -64.91 100.88 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 125.49 14.71 3.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.541 ' CD2' ' O ' ' A' ' 71' ' ' TRP . 0.9 OUTLIER -77.16 -12.03 59.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.752 0.31 . . . . 0.0 110.925 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.1 p -65.68 -29.5 70.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 74' ' ' LYS . 68.5 m -80.41 -51.29 9.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 73' ' ' SER . 41.0 mtpt -34.71 -66.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.8 p -81.78 -45.12 16.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 111.64 34.25 2.1 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.483 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 3.1 m80 -97.57 143.64 26.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.641 0.734 . . . . 0.0 110.811 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 133.25 25.1 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.2 tp -99.46 138.01 37.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -101.72 125.34 37.52 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 149.37 66.62 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.376 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.324 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 p 40.82 42.52 1.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.853 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -122.18 95.01 4.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.73 -142.67 13.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.478 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -157.11 153.82 28.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.364 . . . . 0.0 110.887 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.6 p -158.44 106.41 1.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.82 135.44 12.53 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.517 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.3 m -148.89 169.13 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.939 0.4 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -113.66 143.86 30.29 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.559 0.695 . . . . 0.0 110.909 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 148.32 64.5 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.664 2.242 . . . . 0.0 112.351 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -49.62 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.7 2.266 . . . . 0.0 112.345 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.512 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 1.2 p80 -124.04 -43.68 2.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.83 27.23 0.73 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.537 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.512 ' HB2' ' CE1' ' A' ' 12' ' ' HIS . 13.2 m-85 -125.64 160.68 29.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -129.68 169.3 15.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -97.18 157.26 16.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt 64.79 27.41 12.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.419 ' CE ' HG22 ' A' ' 36' ' ' VAL . 12.7 ptt? -116.06 -176.77 3.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.467 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 42.4 mmtm -120.27 152.27 38.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -167.48 143.33 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -82.54 116.12 21.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.1 t -109.33 141.27 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.43 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 79.3 t -86.2 117.94 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 27' ' ' ASN . 10.3 t0 -51.58 110.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 12.1 mmmt -44.45 -58.16 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -29.23 66.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 24' ' ' ASP . 2.7 m120 -129.66 93.47 34.75 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.63 0.728 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.43 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.6 Cg_endo -69.84 -6.5 18.77 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.316 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 21.9 mmt -103.68 11.56 35.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -132.42 133.95 44.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.59 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 25.6 mt -129.0 143.65 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 45.0 mtt-85 -143.84 167.79 21.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.467 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 74.4 t -68.27 152.14 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -140.49 166.32 25.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.2 m -135.52 113.24 10.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.419 HG22 ' CE ' ' A' ' 18' ' ' MET . 21.5 t -64.69 103.26 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.88 -51.96 8.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -138.96 134.36 33.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.8 p -105.98 112.56 25.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -83.28 -178.39 7.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -47.26 -57.1 5.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -130.98 30.56 4.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -147.93 172.58 13.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.3 m -155.68 122.4 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -70.03 102.99 2.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.6 m -87.33 116.34 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -104.18 121.07 42.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -79.29 106.83 11.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -39.33 116.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.85 -65.44 0.61 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 53.1 m95 -41.71 125.53 2.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.758 0.314 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 53' ' ' ASN . 11.1 t-20 -38.09 126.72 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 54' ' ' CYS . 8.1 m-20 -36.54 -46.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 53' ' ' ASN . 37.3 t -37.01 -46.47 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.429 ' O ' ' C ' ' A' ' 56' ' ' ASP . 14.4 m-85 -51.55 -45.23 62.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 55' ' ' TYR . 15.5 m-20 -35.72 144.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -151.57 156.39 40.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 55.5 m95 -81.99 105.17 12.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.7 tt -108.89 143.05 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -66.68 123.96 21.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.85 -17.09 55.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -100.38 6.33 44.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.2 t -66.2 141.9 97.59 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.671 0.748 . . . . 0.0 110.824 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -21.77 32.79 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.15 -34.81 66.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 29.0 mt -65.73 127.48 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 97.9 m-70 -128.89 143.23 47.85 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.622 0.725 . . . . 0.0 110.889 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 163.02 39.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.245 . . . . 0.0 112.311 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.3 t -62.89 103.75 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.63 6.98 6.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.451 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.59 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 1.8 t90 -68.07 -12.64 61.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.745 0.307 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.2 p -67.46 -32.25 72.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.7 m -81.85 -50.9 8.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -39.68 -62.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.505 HG23 ' CE2' ' A' ' 71' ' ' TRP . 35.0 p -80.43 -32.99 37.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.79 31.34 7.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -100.78 143.3 26.31 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.577 0.703 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 139.77 40.98 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.644 2.229 . . . . 0.0 112.346 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.7 tp -104.61 144.67 31.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -105.14 134.78 19.48 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.575 0.702 . . . . 0.0 110.943 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 151.08 68.88 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.64 2.227 . . . . 0.0 112.346 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -169.99 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.676 2.251 . . . . 0.0 112.384 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.0 mt -62.1 163.93 7.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.9 m -68.7 158.78 84.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.638 0.732 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 2.96 3.09 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.627 2.218 . . . . 0.0 112.358 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.443 ' N ' HD22 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -120.03 -14.44 8.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -79.69 -14.55 58.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.66 -5.0 39.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 64.2 ttp -78.26 92.37 4.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -102.05 166.23 10.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 56.85 42.93 25.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.7 t -111.27 94.29 4.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -100.81 118.43 36.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -106.88 104.09 13.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.47 84.52 0.62 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -169.22 152.57 20.24 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.472 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 30.3 p -66.92 159.91 27.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 110.907 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.5 m -135.02 162.6 32.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.8 t -103.91 141.35 22.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.574 0.702 . . . . 0.0 111.12 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 134.82 28.89 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.71 2.273 . . . . 0.0 112.344 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -107.01 61.56 0.32 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.522 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.9 m -157.9 148.76 20.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 110.901 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 152.99 83.81 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.445 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 174.5 9.42 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 86.1 p -134.86 136.98 42.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.815 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.8 t -161.37 155.21 22.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.9 p -164.05 137.94 5.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.888 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 m -105.28 174.62 5.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.4 -57.36 3.39 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.4 p -88.78 152.95 21.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.37 . . . . 0.0 110.855 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 t -119.04 129.25 55.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.42 97.87 0.17 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.2 p -169.55 139.99 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.36 . . . . 0.0 111.149 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -99.65 143.94 27.39 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.605 0.717 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 162.97 40.02 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.688 2.259 . . . . 0.0 112.307 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -47.59 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.682 2.255 . . . . 0.0 112.332 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.506 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 0.9 OUTLIER -125.0 -39.81 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 122.5 31.07 1.09 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.506 ' HB2' ' CE1' ' A' ' 12' ' ' HIS . 4.1 m-85 -120.54 177.82 4.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -149.18 162.76 39.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -90.49 147.42 23.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt 70.12 25.22 4.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.468 ' CE ' HG21 ' A' ' 36' ' ' VAL . 11.0 ptt? -110.27 177.07 4.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -117.18 153.41 32.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -167.64 140.76 3.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.983 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 67' ' ' HIS . 95.1 mt-10 -81.44 117.56 21.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.7 t -110.55 142.12 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.4 t -86.51 118.64 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.175 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' ASN . 8.8 t0 -51.38 108.45 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 2.1 mmmm -42.1 -57.23 2.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -61.93 -33.89 75.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' ASP . 22.2 m-20 -121.85 91.59 48.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.588 0.709 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -7.98 22.43 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.646 2.231 . . . . 0.0 112.39 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.5 ptp -101.9 11.51 38.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -135.78 133.15 37.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.597 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 27.4 mt -127.26 144.25 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.4 mtt85 -141.65 162.16 36.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.84 146.56 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -132.68 164.1 27.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.4 m -130.76 114.62 15.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.468 HG21 ' CE ' ' A' ' 18' ' ' MET . 17.7 t -65.66 104.59 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.4 -39.3 17.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -147.88 137.5 22.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.0 p -111.58 111.49 22.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.519 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 6.5 t0 -81.9 -178.66 7.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.413 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 20.3 m-20 -46.47 -56.11 6.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.413 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 2.2 m-70 -131.94 28.87 4.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 40' ' ' ASP . 18.1 mtm180 -145.5 170.36 16.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.0 m -154.05 122.9 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -70.66 107.19 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.7 m -93.23 113.03 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.455 ' CD2' ' C ' ' A' ' 47' ' ' HIS . 2.7 t60 -99.97 126.69 46.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.513 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 3.1 m-85 -82.23 102.49 11.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -37.83 130.99 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.27 -45.79 3.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.455 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.513 ' CD1' ' HB3' ' A' ' 48' ' ' PHE . 75.6 m95 -63.62 132.56 51.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.799 0.333 . . . . 0.0 110.921 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -42.88 127.33 4.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.436 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 4.2 t-20 -39.41 -36.27 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 19.9 m -51.64 -46.32 63.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -49.85 -36.53 27.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 3.7 m-20 -44.27 161.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -163.94 149.27 10.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.519 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 44.3 m95 -76.84 106.54 8.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 16.8 tt -109.11 144.5 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.449 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 6.2 m-20 -68.71 127.36 32.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.42 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . . . -62.1 -20.8 64.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -93.83 -5.5 47.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.9 t -56.65 138.8 76.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.664 0.745 . . . . 0.0 110.868 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -24.31 29.83 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.657 2.238 . . . . 0.0 112.317 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.03 -31.23 70.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.449 ' CD1' ' O ' ' A' ' 60' ' ' ASP . 62.3 mt -66.55 127.56 28.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.46 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 89.0 m-70 -129.04 140.2 37.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.54 0.686 . . . . 0.0 110.883 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 157.37 60.58 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.325 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.5 t -58.34 102.85 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.132 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 122.83 12.72 4.83 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.597 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 0.6 OUTLIER -75.17 -22.83 57.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.749 0.309 . . . . 0.0 110.967 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.44 ' HA ' ' CE3' ' A' ' 71' ' ' TRP . 30.5 p -60.85 -31.65 71.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 75' ' ' THR . 74.9 m -83.55 -66.22 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.461 ' CG ' HG22 ' A' ' 75' ' ' THR . 3.4 ptmm? -33.72 -34.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 73' ' ' SER . 44.6 p -99.87 -46.88 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 109.73 18.06 9.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.523 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 2.2 m80 -89.81 145.42 33.32 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.599 0.714 . . . . 0.0 110.844 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 136.78 33.83 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.7 tp -109.22 137.25 47.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -100.61 135.36 20.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.589 0.709 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 154.72 67.26 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.272 . . . . 0.0 112.337 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -170.13 0.37 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.68 2.253 . . . . 0.0 112.363 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.416 ' CD2' ' HG3' ' A' ' 87' ' ' GLU . 2.0 mt -85.65 -178.15 6.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 m -88.54 160.98 43.65 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.647 0.737 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -5.18 15.59 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.692 2.261 . . . . 0.0 112.354 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 pp -84.06 -37.17 22.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.416 ' HG3' ' CD2' ' A' ' 83' ' ' LEU . 33.6 mm-40 -55.36 -36.87 66.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 89' ' ' MET . 11.8 mt -51.39 -38.59 54.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' LEU . 36.7 ttm -37.72 153.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -95.01 161.48 14.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.67 174.46 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.6 m -152.48 156.31 39.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.2 134.71 35.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -161.47 135.15 6.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.72 137.85 6.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.478 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 126.7 -66.27 0.56 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.491 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 50.3 m -76.77 88.8 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.7 m -148.54 125.58 11.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 38.0 p -77.89 141.65 63.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.588 0.709 . . . . 0.0 111.172 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 122.83 9.52 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -129.97 -78.56 0.2 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -98.76 125.59 44.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.04 -149.91 18.66 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.507 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -174.65 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.715 2.276 . . . . 0.0 112.35 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.4 t -142.61 156.88 45.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.7 t -87.79 148.27 24.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.6 m -116.45 95.95 5.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.36 . . . . 0.0 110.845 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -63.15 -51.01 68.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.28 159.49 8.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 m -121.46 102.41 8.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.875 0.369 . . . . 0.0 110.834 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 m -157.97 123.76 4.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.06 -64.92 0.52 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.51 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.5 m -71.52 173.68 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 111.161 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -146.93 145.21 21.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.579 0.704 . . . . 0.0 110.928 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 110.56 2.58 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -43.6 2.54 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.329 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 1.3 p80 -127.06 -42.37 1.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.51 29.54 0.64 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.517 ' CE1' ' O ' ' A' ' 61' ' ' ALA . 9.4 m-85 -133.0 158.13 43.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 110.881 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -128.22 172.18 11.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -98.92 150.64 21.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt 69.84 26.57 4.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.5 ptt? -113.15 -177.0 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.455 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 33.0 mmtm -121.43 151.57 40.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.453 HD13 ' CG2' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -166.68 141.61 4.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 67' ' ' HIS . 65.1 mt-10 -81.53 112.55 18.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.453 ' CG2' HD13 ' A' ' 20' ' ' LEU . 61.2 t -105.33 152.79 7.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.464 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 93.5 t -98.69 117.76 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 27' ' ' ASN . 22.3 t0 -54.88 108.04 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 5.6 mmmt -41.99 -54.52 3.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -63.85 -29.06 70.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' ASP . 16.3 m-80 -129.64 92.04 38.9 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.645 0.736 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.464 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 54.3 Cg_endo -69.77 -18.72 36.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.559 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 11.5 ptp -92.74 15.42 14.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.559 ' CE1' ' HG3' ' A' ' 29' ' ' MET . 72.8 m-85 -136.04 124.52 23.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.557 HD12 ' CZ3' ' A' ' 71' ' ' TRP . 56.6 mt -125.41 133.22 69.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -132.23 174.21 10.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.455 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 85.4 t -75.41 142.49 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -127.21 166.02 18.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.1 m -137.15 108.92 7.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.125 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 t -62.98 102.58 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.0 -48.68 13.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -139.25 142.89 37.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.422 HG22 ' CG1' ' A' ' 44' ' ' VAL . 44.0 p -114.15 119.96 38.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.411 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 3.0 t70 -93.1 -176.77 4.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.513 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 7.4 m-20 -47.62 -57.44 5.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.513 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 1.8 m-70 -131.59 32.62 4.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.419 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 26.7 mtm180 -147.75 173.2 13.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.422 ' CG1' HG22 ' A' ' 39' ' ' THR . 29.2 m -158.94 117.49 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -66.78 106.79 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.1 m -93.4 119.63 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.407 ' CD2' ' C ' ' A' ' 47' ' ' HIS . 4.8 t60 -106.08 117.9 35.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -76.09 107.17 8.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -44.01 128.79 5.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.66 -43.32 2.88 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -61.8 148.84 41.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.737 0.303 . . . . 0.0 110.958 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -60.24 132.66 54.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -42.03 -38.39 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 49.5 t -48.28 -44.37 33.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.415 ' O ' ' C ' ' A' ' 56' ' ' ASP . 57.6 m-85 -52.63 -44.13 65.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 55' ' ' TYR . 4.6 m-20 -37.12 139.82 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -152.2 152.49 32.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.411 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 46.4 m95 -77.07 106.48 8.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 17.2 tt -109.46 141.28 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.443 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 62.0 m-20 -61.72 129.0 38.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.517 ' O ' ' CE1' ' A' ' 14' ' ' PHE . . . -63.77 -23.01 67.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.081 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -100.95 18.36 19.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 t -74.18 141.97 78.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.672 0.749 . . . . 0.0 110.859 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 -21.32 34.16 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.391 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.03 -34.49 64.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.443 ' CD1' ' O ' ' A' ' 60' ' ' ASP . 81.5 mt -66.91 126.72 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 21' ' ' GLU . 95.5 m-70 -129.03 143.23 47.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.552 0.691 . . . . 0.0 110.882 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 161.9 44.14 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.716 2.278 . . . . 0.0 112.361 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.0 t -61.97 102.72 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.32 11.29 4.71 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 77' ' ' HIS . 1.6 t90 -71.5 -14.29 62.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.713 0.292 . . . . 0.0 110.875 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 31.6 p -67.22 -34.25 77.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.7 t -77.03 -47.8 19.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -43.56 -68.62 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.9 p -74.12 -50.97 17.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.28 35.12 1.51 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.568 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 4.5 m80 -101.47 143.63 26.97 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.585 0.707 . . . . 0.0 110.825 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 136.52 33.25 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.407 ' CD1' ' O ' ' A' ' 31' ' ' ILE . 18.6 tp -104.89 144.67 31.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -107.48 130.8 22.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.64 0.733 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 153.5 69.18 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.688 2.259 . . . . 0.0 112.418 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -175.24 1.09 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.61 161.64 9.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.7 m -62.39 153.82 74.62 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.616 0.722 . . . . 0.0 110.851 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.462 ' HA ' ' CD1' ' A' ' 88' ' ' LEU . 54.1 Cg_endo -69.79 -1.86 9.21 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.701 2.268 . . . . 0.0 112.336 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 pp -90.21 -30.6 17.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 88' ' ' LEU . 4.9 mm-40 -59.11 -60.57 3.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.462 ' CD1' ' HA ' ' A' ' 85' ' ' PRO . 3.2 mp -34.59 -48.36 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 88' ' ' LEU . 10.6 tpp -35.24 -50.93 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.93 99.16 6.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -125.55 171.96 10.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.08 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.7 t -91.57 53.19 2.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -79.02 153.29 30.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -107.49 161.6 14.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 99.45 -141.46 15.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 171.09 123.34 0.69 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 45.0 t -52.04 147.57 7.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.848 0.356 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.7 m -91.67 144.97 24.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 33.9 p -110.92 81.24 2.53 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.59 0.71 . . . . 0.0 111.148 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -43.39 2.68 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.308 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.72 -176.75 33.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.5 t -91.82 155.0 18.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.88 0.371 . . . . 0.0 110.876 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -98.05 144.53 17.32 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.487 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 177.89 5.1 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 35.6 m -126.94 110.6 13.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.7 m -38.43 -61.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.827 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.487 -179.95 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t -124.1 146.23 48.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.855 0.36 . . . . 0.0 110.901 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -67.78 -49.73 60.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.69 117.79 4.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.516 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 m -111.51 127.84 55.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.905 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.9 t -166.88 140.45 3.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.9 111.34 3.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.466 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.2 158.4 32.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.889 0.376 . . . . 0.0 111.141 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.436 ' HD2' ' C ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -141.04 154.49 68.26 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.561 0.696 . . . . 0.0 110.91 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.436 ' C ' ' HD2' ' A' ' 9' ' ' LYS . 53.0 Cg_endo -69.82 110.23 2.52 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.309 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -39.99 5.82 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.649 2.233 . . . . 0.0 112.346 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.464 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 1.3 p80 -128.91 -43.12 1.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.32 36.34 0.38 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.505 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.547 ' CD1' ' HB2' ' A' ' 61' ' ' ALA . 26.3 m-85 -134.41 147.98 50.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.322 . . . . 0.0 110.905 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -117.14 167.85 10.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -97.46 152.72 18.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt 69.55 25.51 5.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.416 ' CE ' HG23 ' A' ' 36' ' ' VAL . 19.1 ptt? -111.75 -179.83 3.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -118.75 142.08 48.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.46 HD11 ' CG2' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -158.21 140.93 14.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 67' ' ' HIS . 91.1 mt-10 -81.33 115.27 20.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.46 ' CG2' HD11 ' A' ' 20' ' ' LEU . 58.1 t -108.23 140.23 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.449 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 85.6 t -82.0 117.59 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -53.34 118.04 3.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 13.9 mmmt -53.71 -51.98 61.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.477 ' HD2' ' N ' ' A' ' 26' ' ' ARG . 8.7 mmm-85 -60.09 -36.27 77.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -132.04 94.44 24.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.621 0.724 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.449 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 54.1 Cg_endo -69.72 -5.14 15.46 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.727 2.285 . . . . 0.0 112.354 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -96.72 9.12 42.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -133.18 135.94 45.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.59 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 23.8 mt -129.2 135.43 61.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.097 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -133.14 -179.93 5.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.8 t -84.24 142.27 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -125.46 174.05 8.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.9 m -145.79 109.54 4.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.416 HG23 ' CE ' ' A' ' 18' ' ' MET . 33.0 t -59.75 108.91 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.02 -42.7 12.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -147.59 131.11 16.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.9 p -104.47 114.44 28.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.466 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 6.3 t70 -87.94 -175.85 5.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.453 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 3.9 m-20 -45.99 -64.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.453 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 1.1 m-70 -125.75 33.63 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -150.14 169.1 22.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.3 m -155.57 124.19 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 tttt -69.65 109.86 4.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.1 m -98.1 113.33 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -99.9 133.83 43.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.418 ' CZ ' ' HB ' ' A' ' 22' ' ' VAL . 4.7 m-85 -91.38 101.01 13.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -41.02 124.58 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.31 -59.14 0.57 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.511 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.568 ' CD1' HD23 ' A' ' 83' ' ' LEU . 62.4 m95 -53.19 167.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.758 0.313 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -74.99 131.99 41.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.922 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 2.7 p30 -47.24 -31.21 3.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.5 m -53.13 -38.48 62.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.448 ' O ' ' C ' ' A' ' 56' ' ' ASP . 12.3 m-85 -60.49 -37.84 82.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 55' ' ' TYR . 13.5 m-20 -34.3 147.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -156.87 145.17 19.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.466 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 60.1 m95 -75.56 104.99 6.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 16.1 tt -105.26 147.38 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.415 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 55.5 m-20 -70.31 122.04 18.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.838 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.547 ' HB2' ' CD1' ' A' ' 14' ' ' PHE . . . -57.34 -23.57 49.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -96.27 12.04 32.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.3 t -71.47 142.39 86.5 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.68 0.752 . . . . 0.0 110.832 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -22.39 32.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.479 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 1.0 OUTLIER -74.37 -35.02 63.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.89 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.415 ' CD1' ' O ' ' A' ' 60' ' ' ASP . 53.1 mt -62.23 119.85 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 21' ' ' GLU . 83.8 m-70 -124.03 143.64 42.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.554 0.692 . . . . 0.0 110.871 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 164.38 34.81 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.331 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 18.5 t -55.72 -23.38 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -101.49 42.05 2.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.59 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 84.1 t90 -94.1 -43.4 8.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.338 . . . . 0.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.6 p -53.06 -37.52 61.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.3 m -78.5 -52.29 8.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -49.97 -59.72 3.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.5 p -78.59 -23.06 46.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.35 30.75 48.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.475 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 4.7 m80 -96.94 149.96 36.31 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.601 0.715 . . . . 0.0 110.837 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 143.99 52.74 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.3 tp -115.7 151.76 34.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -115.17 134.32 22.56 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.596 0.712 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 150.54 68.17 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.342 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 176.52 6.65 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.691 2.261 . . . . 0.0 112.329 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.568 HD23 ' CD1' ' A' ' 51' ' ' TRP . 2.5 mm? -50.5 164.04 0.15 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -76.45 156.92 83.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.659 0.743 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 0.09 6.17 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.716 2.278 . . . . 0.0 112.296 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 pp -94.95 -30.84 13.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -60.0 -50.0 75.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.4 mp -59.85 -59.45 5.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.5 ppp? -60.87 165.26 4.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.5 pm0 -95.33 152.31 18.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -123.62 170.38 10.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.0 t 39.6 40.22 0.6 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -109.7 117.02 32.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -63.26 130.06 42.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 163.27 69.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.424 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -92.93 133.41 11.7 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.508 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 45.5 t -72.54 141.7 48.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.7 p -110.79 134.11 52.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 31.5 p -107.4 145.12 30.58 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.572 0.701 . . . . 0.0 111.141 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -177.14 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.267 . . . . 0.0 112.349 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -132.85 -153.44 7.23 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.6 p -118.36 159.62 23.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.909 0.385 . . . . 0.0 110.837 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -96.23 -158.45 31.89 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.464 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -179.17 2.73 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.731 2.287 . . . . 0.0 112.277 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.2 t -113.41 -63.03 1.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.9 t -136.47 162.88 31.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.829 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.476 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 54.98 42.15 31.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -54.36 144.49 20.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.7 -105.86 1.98 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.453 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -123.09 91.64 3.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.366 . . . . 0.0 110.835 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.6 t -110.64 105.22 14.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.0 -50.23 3.88 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.441 HG21 ' N ' ' A' ' 9' ' ' LYS . 8.8 p -73.56 139.61 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.363 . . . . 0.0 111.139 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.441 ' N ' HG21 ' A' ' 8' ' ' VAL . 13.0 ptpt -117.93 151.46 48.89 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.594 0.711 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 149.08 66.6 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.742 2.294 . . . . 0.0 112.324 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -41.54 4.15 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -121.29 -22.22 6.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.14 -51.78 0.77 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.492 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' A' ' 61' ' ' ALA . 54.2 m-85 -44.25 147.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 110.855 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -116.51 171.62 7.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -100.47 162.36 12.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.2 mtpt 60.6 25.92 15.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 18.3 ptt? -114.26 -175.86 2.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 32.2 mmtm -119.65 148.26 43.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.466 ' CD1' HG23 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -163.42 145.48 9.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 67' ' ' HIS . 68.0 mt-10 -85.61 119.39 25.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.466 HG23 ' CD1' ' A' ' 20' ' ' LEU . 70.7 t -113.74 137.06 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.0 t -80.31 122.2 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' ASN . 17.2 t0 -64.79 116.46 6.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 4.5 mmmt -48.05 -58.92 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.414 ' HG3' ' ND2' ' A' ' 27' ' ' ASN . 3.8 ptp180 -57.95 -32.91 68.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.414 ' ND2' ' HG3' ' A' ' 26' ' ' ARG . 66.0 m-80 -129.53 91.29 41.46 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.629 0.728 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -21.08 34.22 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.9 mtt -88.76 14.17 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -134.14 125.59 28.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.509 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 46.3 mt -123.57 136.01 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -133.2 -179.65 5.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.401 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 81.2 t -84.92 145.43 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -130.73 159.38 37.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.0 m -126.73 108.55 11.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.7 t -59.45 105.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.85 -47.75 12.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -142.24 136.14 29.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.7 p -107.57 110.83 22.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.402 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 11.6 t0 -81.41 -175.51 5.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.456 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 5.8 m-20 -50.24 -57.11 8.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.456 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 2.1 m-70 -130.52 28.16 4.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.8 mtm-85 -145.32 168.9 19.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.2 m -153.05 121.45 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -69.05 108.71 3.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.2 m -95.82 115.51 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.136 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.452 ' CD2' ' C ' ' A' ' 47' ' ' HIS . 3.0 t60 -103.0 132.26 49.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -87.18 103.12 15.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -44.74 106.87 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.42 -45.02 1.31 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.486 ' CD1' HD21 ' A' ' 83' ' ' LEU . 10.9 m0 -70.86 138.12 49.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.766 0.317 . . . . 0.0 110.943 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 53' ' ' ASN . 2.4 t30 -47.76 138.65 8.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.858 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 52' ' ' ASN . 39.2 m-20 -37.28 -54.0 1.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.855 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 53' ' ' ASN . 76.8 m -35.94 -58.35 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' A' ' 54' ' ' CYS . 26.4 m-85 -36.59 -49.04 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 0.7 OUTLIER -43.06 157.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -159.9 159.69 32.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.402 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 44.4 m95 -83.37 105.82 14.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.421 HD12 ' NZ ' ' A' ' 25' ' ' LYS . 15.8 tt -109.17 142.38 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -69.04 125.44 26.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.465 ' O ' ' CE1' ' A' ' 14' ' ' PHE . . . -57.82 -27.6 63.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.062 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -88.61 1.9 54.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.8 t -61.71 141.0 95.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.699 0.762 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -26.93 26.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.706 2.271 . . . . 0.0 112.311 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.77 -30.0 67.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.836 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.5 mt -65.67 122.93 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 21' ' ' GLU . 71.7 m-70 -128.95 143.82 50.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.581 0.705 . . . . 0.0 110.843 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 158.91 55.3 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.701 2.267 . . . . 0.0 112.322 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.5 t -51.34 -22.5 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -102.73 42.93 1.78 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.498 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.51 ' CZ3' ' HB2' ' A' ' 77' ' ' HIS . 88.3 t90 -93.81 -50.51 5.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.32 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.1 p -41.35 -36.85 0.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 74' ' ' LYS . 4.9 p -74.92 -62.85 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 73' ' ' SER . 5.9 mtpm? -34.72 -62.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.509 HG23 ' CE2' ' A' ' 71' ' ' TRP . 81.7 p -75.99 -47.73 23.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.135 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.19 29.44 4.27 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.51 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 3.8 m80 -97.82 146.39 31.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.596 0.712 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 135.63 31.01 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.718 2.278 . . . . 0.0 112.349 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.9 tp -100.14 144.53 29.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -106.32 126.88 29.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.555 0.693 . . . . 0.0 110.949 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 149.29 66.88 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -179.56 3.0 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.309 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.486 HD21 ' CD1' ' A' ' 51' ' ' TRP . 4.3 mm? -58.48 163.92 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.5 m -57.88 159.8 9.57 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -4.84 14.81 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.719 2.279 . . . . 0.0 112.35 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.402 HD11 ' C ' ' A' ' 86' ' ' LEU . 3.5 pp -84.76 -21.95 29.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -81.22 -62.18 1.73 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.42 ' C ' HD11 ' A' ' 88' ' ' LEU . 4.1 pp -53.39 -38.25 63.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 36.7 ttp -69.09 -47.07 66.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -77.22 86.88 3.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 92' ' ' SER . . . -174.58 135.5 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 91' ' ' ALA . 23.5 t -35.39 140.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -122.15 135.38 54.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.416 ' CG ' ' N ' ' A' ' 95' ' ' GLY . 50.2 t-80 -66.25 168.86 7.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.416 ' N ' ' CG ' ' A' ' 94' ' ' HIS . . . 174.01 137.2 2.38 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.477 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -154.69 -173.18 23.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 29.9 p -67.54 135.58 53.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 73.9 m -115.37 166.03 12.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.826 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 41.7 p -117.88 139.22 26.2 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.581 0.705 . . . . 0.0 111.13 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 163.24 39.02 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.662 2.241 . . . . 0.0 112.344 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -72.58 -149.29 0.97 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 63.8 p -152.89 161.87 42.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.902 0.382 . . . . 0.0 110.845 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.32 84.0 0.29 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -43.54 2.59 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.305 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 106' ' ' SER . 14.8 p 39.38 54.62 2.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 105' ' ' SER . 57.0 p 35.43 42.41 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 m -86.29 163.88 17.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.367 . . . . 0.0 110.865 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -104.37 162.91 12.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.61 129.79 1.18 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 t -87.6 117.83 26.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 t -124.07 149.03 46.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.823 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.74 104.17 3.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.434 HG21 ' N ' ' A' ' 9' ' ' LYS . 11.5 p -158.55 151.04 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.377 . . . . 0.0 111.106 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.434 ' N ' HG21 ' A' ' 8' ' ' VAL . 24.3 mtmm -115.14 150.04 43.65 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.506 0.67 . . . . 0.0 110.926 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 117.87 5.34 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.33 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -41.03 4.71 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.362 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 1.3 p80 -127.14 -38.58 1.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.2 36.96 0.52 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.515 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' A' ' 12' ' ' HIS . 8.8 m-85 -135.38 173.71 11.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.422 ' HG3' ' C ' ' A' ' 14' ' ' PHE . 61.5 mt-30 -148.3 162.5 39.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -89.95 152.91 20.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.0 mttt 66.79 25.16 9.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.9 ptt? -113.01 172.28 7.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -111.08 153.66 25.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -170.41 142.03 2.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.955 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.448 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 78.3 mt-10 -81.22 117.17 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 85.8 t -111.63 135.09 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.17 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.1 t -78.78 122.8 34.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 27' ' ' ASN . 5.8 t70 -57.43 109.25 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 1.6 mmmm -42.15 -57.78 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -62.37 -29.59 70.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' ASP . 28.4 m-20 -126.3 92.48 45.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.622 0.725 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.66 -18.02 37.69 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.728 2.285 . . . . 0.0 112.405 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 55.8 mtm -94.19 14.98 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -135.47 132.77 37.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.569 HD11 ' CZ3' ' A' ' 71' ' ' TRP . 47.0 mt -128.39 141.67 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -142.71 161.63 37.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 34' ' ' ALA . 86.5 t -66.09 147.95 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.468 ' N ' HG13 ' A' ' 33' ' ' VAL . . . -133.31 163.38 29.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.1 m -130.86 106.4 8.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.5 t -60.15 103.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.113 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.21 -53.53 6.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -134.88 130.31 35.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.7 p -100.68 113.72 26.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.537 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 12.9 t0 -76.57 -174.82 3.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.0 -37.36 75.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.446 ' CD2' ' N ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -132.78 10.48 4.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.2 mtt85 -143.92 179.33 7.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.0 m -156.95 120.61 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.4 tttm -66.1 120.14 12.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.2 m -103.79 116.24 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -107.87 115.01 29.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.419 ' O ' ' C ' ' A' ' 49' ' ' ASP . 3.9 m-85 -73.49 105.06 4.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 48' ' ' PHE . 26.1 t0 -35.51 122.56 0.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 51' ' ' TRP . . . 93.24 -62.9 2.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.544 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.461 ' CD1' ' CD1' ' A' ' 83' ' ' LEU . 33.9 m95 -36.76 149.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.754 0.311 . . . . 0.0 110.936 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.401 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . 29.3 m-20 -59.87 134.94 57.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -46.08 -37.49 6.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.8 t -51.41 -44.44 62.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.423 ' O ' ' C ' ' A' ' 56' ' ' ASP . 50.7 m-85 -51.84 -43.56 63.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 55' ' ' TYR . 2.7 m-20 -36.77 147.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -156.67 148.63 22.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 55.7 m95 -77.46 105.25 8.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 16.0 tt -106.62 141.41 21.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.456 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 30.7 m-20 -62.49 131.48 49.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.439 ' HB3' ' CD1' ' A' ' 14' ' ' PHE . . . -65.51 -23.78 66.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -100.69 23.53 10.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.5 t -80.1 141.33 54.15 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.666 0.746 . . . . 0.0 110.84 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -22.06 32.53 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 0.0 112.384 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -73.3 -32.78 64.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.456 ' CD1' ' O ' ' A' ' 60' ' ' ASP . 72.2 mt -66.35 128.16 28.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -128.73 143.62 49.22 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.592 0.711 . . . . 0.0 110.848 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 162.12 43.3 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.704 2.27 . . . . 0.0 112.366 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.8 t -64.75 91.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 132.2 23.9 0.81 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.57 ' CZ3' ' HB2' ' A' ' 77' ' ' HIS . 1.2 t90 -84.4 -10.4 57.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.754 0.312 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.3 p -77.67 -24.49 49.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 74' ' ' LYS . 5.6 t -86.68 -56.68 3.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.542 ' HD3' ' CD1' ' A' ' 71' ' ' TRP . 16.2 ptmt -34.22 -37.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.458 HG22 ' CG ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -113.34 -44.36 3.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 109.6 37.01 1.97 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 8.4 m80 -91.6 153.26 43.99 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.606 0.717 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 149.2 66.61 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.382 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.8 tp -133.47 136.29 45.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -104.06 128.05 27.98 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.559 0.695 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 155.52 65.71 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.372 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -177.8 2.05 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.713 2.275 . . . . 0.0 112.285 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.461 ' CD1' ' CD1' ' A' ' 51' ' ' TRP . 7.7 mp -62.9 163.51 9.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.951 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 m -65.45 158.06 75.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.682 0.753 . . . . 0.0 110.845 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 2.22 3.75 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.622 2.215 . . . . 0.0 112.358 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.8 pp -86.51 -29.38 22.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.19 -41.49 73.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.2 mp -76.99 -57.01 4.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 11.6 mmt 38.11 42.37 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -67.07 -46.27 74.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -42.52 154.86 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.7 p -106.51 172.71 6.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 71.49 42.11 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -47.39 -59.84 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -39.02 150.68 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.459 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 157.98 -89.38 0.11 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.512 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 6.1 t -92.04 89.41 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.7 m -49.85 136.25 18.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.0 p -134.1 139.34 32.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.619 0.723 . . . . 0.0 111.129 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 107.79 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.54 -171.9 34.22 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.4 p -163.8 176.21 9.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.861 0.362 . . . . 0.0 110.895 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -55.26 144.37 32.79 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 176.14 7.16 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.662 2.241 . . . . 0.0 112.384 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 68.5 m -82.36 170.28 15.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.878 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 96.6 p -68.11 155.78 38.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m -52.85 139.96 25.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.845 0.355 . . . . 0.0 110.892 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.9 p -120.23 128.22 53.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.809 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.25 -142.29 4.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -43.97 101.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.902 0.382 . . . . 0.0 110.847 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -144.71 121.98 11.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.813 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.42 -45.58 5.41 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.463 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.1 p -38.26 143.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.9 0.381 . . . . 0.0 111.116 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -109.7 148.83 38.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.603 0.716 . . . . 0.0 110.845 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 161.46 45.83 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.657 2.238 . . . . 0.0 112.345 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -39.86 5.89 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.635 2.223 . . . . 0.0 112.335 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.501 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 1.1 p80 -121.9 -36.38 3.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.54 34.12 0.72 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.519 ' CD1' ' HB3' ' A' ' 61' ' ' ALA . 7.1 m-85 -127.89 147.15 50.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.865 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -118.65 157.67 26.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -85.44 148.38 26.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt 69.84 26.61 4.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.466 ' CE ' HG21 ' A' ' 36' ' ' VAL . 12.3 ptt? -109.95 174.72 5.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 18.0 mmtp -114.77 148.83 37.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.5 141.99 7.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 67' ' ' HIS . 82.5 mt-10 -81.38 114.53 20.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.3 t -108.43 140.46 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.448 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 86.9 t -85.81 115.12 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 27' ' ' ASN . 13.0 t0 -52.81 109.14 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 1.4 mmmm -42.12 -58.77 2.0 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -60.54 -32.05 71.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 24' ' ' ASP . 3.1 m-20 -126.11 91.36 48.18 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.593 0.711 . . . . 0.0 110.838 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.448 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 54.0 Cg_endo -69.77 -18.7 36.79 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.713 2.275 . . . . 0.0 112.342 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.5 mtm -93.09 14.59 17.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -135.49 120.77 19.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.574 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 41.6 mt -121.52 139.52 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.5 mtt-85 -138.35 177.59 7.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 99.0 t -80.74 138.75 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.55 166.92 14.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.6 m -133.55 114.14 13.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.466 HG21 ' CE ' ' A' ' 18' ' ' MET . 22.0 t -63.97 102.62 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.16 -44.72 13.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.043 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -136.49 141.53 43.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.8 p -117.0 109.82 17.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.424 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 5.9 t0 -85.5 -175.88 5.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -51.26 -64.91 0.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -120.87 26.38 9.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.6 mtt85 -146.7 169.64 18.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -154.93 123.28 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -68.33 112.89 5.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.5 m -97.71 116.97 41.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.082 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -108.42 124.09 49.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.507 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 3.8 m-85 -75.27 100.22 4.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' PHE . 3.6 t70 -37.08 120.2 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.01 -48.73 0.94 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.536 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.507 ' CD1' ' HB3' ' A' ' 48' ' ' PHE . 57.3 m95 -59.97 142.73 53.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.333 . . . . 0.0 110.916 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -45.63 163.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -82.28 40.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 12.3 m -128.93 -39.67 1.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -57.25 -37.75 72.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.06 140.68 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -144.44 151.63 39.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.966 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.424 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 47.8 m95 -77.29 105.53 8.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.3 tt -109.69 144.08 18.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.27 127.31 32.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.519 ' HB3' ' CD1' ' A' ' 14' ' ' PHE . . . -62.98 -12.97 29.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -106.57 9.05 31.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.7 t -69.4 141.09 90.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.693 0.759 . . . . 0.0 110.818 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -14.16 35.58 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.658 2.238 . . . . 0.0 112.304 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.48 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -79.94 -32.9 40.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.5 mt -66.69 126.38 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.46 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 95.2 m-70 -129.2 141.85 43.18 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.605 0.716 . . . . 0.0 110.881 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 156.21 64.08 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.716 2.277 . . . . 0.0 112.366 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.7 t -57.48 104.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.144 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 122.65 9.1 6.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.541 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.574 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 0.6 OUTLIER -70.76 -14.23 62.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.719 0.295 . . . . 0.0 110.916 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 30.1 p -63.85 -19.88 65.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 74' ' ' LYS . 5.1 m -91.31 -51.9 5.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 73' ' ' SER . 16.4 mtpp -36.63 -63.19 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.8 p -79.76 -47.9 14.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.144 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.93 26.91 3.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.526 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.563 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 9.4 m-70 -97.22 144.66 28.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.614 0.721 . . . . 0.0 110.859 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 144.11 52.78 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.654 2.236 . . . . 0.0 112.309 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.5 tp -109.62 142.14 41.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -106.25 133.77 20.08 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.553 0.692 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 156.04 64.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -174.56 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.387 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.1 mt -52.28 168.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 m -64.59 158.75 65.87 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.634 0.73 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -2.15 9.68 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.323 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.402 ' C ' HD13 ' A' ' 86' ' ' LEU . 3.8 pp -111.47 -19.08 12.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -76.6 -41.11 47.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -65.29 -27.97 69.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 7.0 ptm -100.64 77.75 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -127.33 156.51 41.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 37.25 43.21 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 t -89.34 133.89 34.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -122.71 131.18 53.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -40.01 143.36 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -113.45 -153.89 11.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.531 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -81.04 -170.81 43.9 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.501 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 3.4 t -165.33 152.64 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.0 m -108.35 115.8 30.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.0 m -153.26 121.01 3.04 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.576 0.703 . . . . 0.0 111.116 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 169.89 17.92 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 112.42 -155.82 15.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.0 m -91.44 -51.8 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.56 172.62 47.13 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -176.12 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.707 2.271 . . . . 0.0 112.338 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.2 t -130.36 166.44 20.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 36.4 t -135.08 165.11 26.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -84.49 165.17 18.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.92 0.391 . . . . 0.0 110.825 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.1 p -115.86 149.81 38.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.77 159.49 31.13 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 t -153.56 107.94 3.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.372 . . . . 0.0 110.88 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 m -110.48 142.9 41.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.58 38.64 61.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.0 t -132.7 150.28 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.925 0.393 . . . . 0.0 111.122 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -116.72 147.83 40.71 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.578 0.704 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 148.7 65.57 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.639 2.226 . . . . 0.0 112.361 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -47.08 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.704 2.27 . . . . 0.0 112.312 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -122.41 -24.94 4.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.35 -47.12 1.04 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.532 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.427 ' CE1' ' O ' ' A' ' 61' ' ' ALA . 41.1 m-85 -48.95 151.18 1.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.777 0.323 . . . . 0.0 110.889 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -121.84 162.24 21.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -92.57 157.31 16.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt 66.93 25.09 9.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.853 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.9 ptt? -115.95 -176.72 3.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.461 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 43.9 mmtm -118.45 153.59 33.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -168.42 143.38 3.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 67' ' ' HIS . 90.7 mt-10 -81.31 114.51 20.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.829 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.444 HG13 ' N ' ' A' ' 23' ' ' VAL . 58.8 t -110.98 139.27 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.448 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 84.9 t -81.59 124.58 39.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 27' ' ' ASN . 21.1 t0 -63.06 114.3 3.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.509 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 3.1 mmmm -46.1 -58.13 3.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -60.14 -27.82 67.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 24' ' ' ASP . 23.8 m-20 -132.31 91.92 29.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.643 0.735 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.448 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.7 Cg_endo -69.77 -22.59 31.79 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.71 2.273 . . . . 0.0 112.327 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.8 mtt -88.66 15.17 8.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -136.53 127.69 28.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.578 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 37.0 mt -124.84 135.67 63.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.458 ' NH1' ' CZ2' ' A' ' 51' ' ' TRP . 14.8 mtp180 -134.12 176.8 8.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.461 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 55.9 t -74.7 148.85 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -137.76 161.42 36.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.045 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.3 m -130.82 114.92 15.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.6 102.55 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.6 -52.37 8.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -137.16 141.91 42.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.0 p -114.13 111.1 21.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -82.48 -176.55 6.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.466 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 1.2 m-20 -46.92 -63.63 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.466 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 3.2 m-70 -125.03 29.49 6.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -146.0 168.95 19.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.0 m -151.99 120.99 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -71.24 110.2 5.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.0 m -93.94 119.39 41.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.151 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -105.3 120.43 41.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.562 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 5.0 m-85 -82.98 92.43 7.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -43.72 132.78 4.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.96 -37.49 3.53 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.51 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.562 ' CD1' ' HB3' ' A' ' 48' ' ' PHE . 11.4 m95 -60.57 167.87 2.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.761 0.315 . . . . 0.0 110.921 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.547 ' O ' ' CD2' ' A' ' 55' ' ' TYR . 9.4 t-20 -123.23 -174.52 2.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.466 ' O ' ' C ' ' A' ' 54' ' ' CYS . 9.1 t-20 44.6 45.56 7.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 56' ' ' ASP . 1.7 m 32.83 37.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.547 ' CD2' ' O ' ' A' ' 52' ' ' ASN . 9.5 m-85 -37.03 -28.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.5 OUTLIER -38.53 158.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.851 179.896 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.509 ' CZ ' ' HD3' ' A' ' 25' ' ' LYS . 5.7 p90 -155.56 156.58 35.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 46.4 m95 -79.29 107.54 12.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.974 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 15.8 tt -112.35 141.21 28.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.13 129.96 42.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.427 ' O ' ' CE1' ' A' ' 14' ' ' PHE . . . -63.45 -24.03 67.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -98.96 19.45 15.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.5 t -78.65 140.69 59.48 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.639 0.733 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -22.9 31.34 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.668 2.245 . . . . 0.0 112.343 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -72.46 -28.04 62.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 56.6 mt -75.0 127.57 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.179 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.467 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 90.8 m-70 -129.1 143.29 48.22 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.597 0.713 . . . . 0.0 110.831 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 166.11 28.74 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.649 2.233 . . . . 0.0 112.367 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 37.6 t -65.4 100.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 126.65 13.96 2.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.578 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 0.5 OUTLIER -77.79 -16.79 58.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.719 0.295 . . . . 0.0 110.892 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.405 ' HA ' ' CE3' ' A' ' 71' ' ' TRP . 25.4 p -65.05 -31.52 72.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 74' ' ' LYS . 1.5 t -84.53 -63.27 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.439 ' CG ' HG22 ' A' ' 75' ' ' THR . 16.8 ptmt -35.61 -36.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.474 HG21 ' CE2' ' A' ' 71' ' ' TRP . 21.7 p -99.77 -42.28 6.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.58 32.16 4.92 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 2.6 m80 -102.28 145.24 30.16 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.575 0.702 . . . . 0.0 110.825 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 129.4 17.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.637 2.225 . . . . 0.0 112.319 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.7 tp -100.76 148.2 25.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -120.63 129.76 25.16 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 110.933 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 158.96 55.17 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.656 2.237 . . . . 0.0 112.374 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 174.46 9.52 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.669 2.246 . . . . 0.0 112.319 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.19 162.43 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.46 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 3.5 m -76.93 159.35 78.83 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.706 0.765 . . . . 0.0 110.821 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 1.96 3.99 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.636 2.224 . . . . 0.0 112.356 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 84' ' ' SER . 0.2 OUTLIER -112.94 -25.67 8.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -69.97 -17.39 63.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.8 pp -100.03 9.1 43.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 26.5 tpp -60.93 136.13 57.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -110.23 179.3 4.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -120.67 135.8 55.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.0 m -133.46 95.03 3.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -84.79 -44.73 13.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -41.24 159.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 179.92 166.52 35.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -157.55 -88.73 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 8.4 t 51.33 41.89 28.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.791 0.329 . . . . 0.0 110.859 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.3 t -115.26 103.71 11.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.6 t -104.81 125.82 32.84 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.565 0.698 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 113.23 3.3 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.729 2.286 . . . . 0.0 112.338 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -95.87 144.83 17.49 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -74.31 154.42 38.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.947 0.403 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -114.75 -77.02 0.71 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.447 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 161.75 44.74 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 2.238 . . . . 0.0 112.336 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.5 t -137.73 115.75 11.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.1 t -45.28 126.58 6.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.446 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.6 p -89.04 123.14 33.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.837 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 t -73.74 -62.27 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.99 99.45 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 t -37.53 111.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 110.91 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.0 p -133.75 104.74 6.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.59 76.74 0.22 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.418 HG23 ' N ' ' A' ' 9' ' ' LYS . 14.1 p -118.32 157.1 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.892 0.377 . . . . 0.0 111.13 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.418 ' N ' HG23 ' A' ' 8' ' ' VAL . 61.3 mttt -98.7 149.31 35.62 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.509 0.671 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 138.31 37.4 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.251 . . . . 0.0 112.326 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -46.47 1.19 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.318 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -121.93 -38.43 2.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.841 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 133.91 -44.55 1.18 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.46 ' CZ ' HG23 ' A' ' 66' ' ' ILE . 52.2 m-85 -47.94 144.47 3.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -119.86 160.42 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -87.29 160.47 18.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp 62.94 29.92 16.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 16.6 ptt? -121.7 173.08 7.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.429 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 22.4 mmtp -111.15 152.59 26.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.453 ' CD1' HG22 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -166.57 139.09 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.463 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 61.4 mt-10 -81.48 119.19 23.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.7 t -112.06 130.93 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.16 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.1 t -72.63 114.84 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.468 ' OD1' ' CZ ' ' A' ' 26' ' ' ARG . 7.7 t0 -51.17 111.63 0.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -48.63 -58.87 4.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.468 ' CZ ' ' OD1' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -51.73 -35.13 41.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.448 ' OD1' ' C ' ' A' ' 26' ' ' ARG . 3.9 m-20 -134.87 101.6 11.53 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.664 0.745 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -2.97 11.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.298 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 70.7 mtm -104.86 14.95 28.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -136.63 120.46 17.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.493 HD11 ' CZ3' ' A' ' 71' ' ' TRP . 51.3 mt -119.86 138.57 50.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.46 ' N ' HG23 ' A' ' 31' ' ' ILE . 80.3 mtt85 -135.51 179.29 6.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.439 HG11 ' N ' ' A' ' 34' ' ' ALA . 96.5 t -82.23 148.33 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.439 ' N ' HG11 ' A' ' 33' ' ' VAL . . . -138.93 145.48 39.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.8 m -115.66 110.21 18.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.03 103.24 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.34 -53.93 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -132.39 133.16 43.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.3 p -104.72 109.29 21.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.164 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.523 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 3.2 t70 -73.81 -174.71 1.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.99 -45.57 73.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.469 ' H ' ' CD2' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -124.99 8.3 8.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 40' ' ' ASP . 11.9 mtt85 -141.6 169.96 16.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.8 m -148.97 119.05 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -62.08 122.51 15.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.9 m -111.99 114.33 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -98.86 140.33 33.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.569 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 4.9 m-85 -95.35 95.33 8.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 48' ' ' PHE . 11.7 t0 -36.53 135.91 0.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.91 -43.02 3.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.498 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.569 ' CD1' ' HB3' ' A' ' 48' ' ' PHE . 57.6 m95 -67.79 139.08 56.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.332 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -39.53 160.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 50.8 p-10 -80.22 42.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 20.7 p -134.99 -40.04 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.844 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -50.31 -40.26 48.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -39.38 159.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -165.14 153.52 11.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.523 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 58.8 m95 -79.49 104.79 10.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 15.9 tt -105.48 144.88 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.18 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.03 120.09 13.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.417 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -56.09 -28.6 58.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -93.17 21.31 6.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.9 t -81.61 138.04 47.65 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 110.847 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -16.0 37.18 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.707 2.271 . . . . 0.0 112.326 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.99 -37.53 54.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.46 HG23 ' CZ ' ' A' ' 14' ' ' PHE . 36.4 mt -62.02 123.75 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.519 ' HB3' ' CG ' ' A' ' 71' ' ' TRP . 95.2 m-70 -125.67 147.67 59.23 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.569 0.699 . . . . 0.0 110.863 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 163.66 37.43 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.8 t -58.1 -29.35 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.14 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.83 18.76 49.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.519 ' CG ' ' HB3' ' A' ' 67' ' ' HIS . 87.5 t90 -70.63 -45.46 65.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.745 0.307 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 14.0 p -47.54 -32.5 5.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.1 m -85.78 -59.11 2.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -42.68 -41.98 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.505 HG22 ' CE2' ' A' ' 71' ' ' TRP . 61.6 p -93.14 -55.16 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 110.26 35.82 2.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.44 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.517 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 3.8 m80 -107.52 148.6 37.53 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 128.93 16.74 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 0.0 112.375 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 25.2 tp -95.48 143.84 26.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -101.34 132.89 21.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.576 0.703 . . . . 0.0 110.917 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 149.44 66.63 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.673 2.249 . . . . 0.0 112.304 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 177.8 5.23 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.724 2.282 . . . . 0.0 112.304 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.521 HD21 ' CE2' ' A' ' 51' ' ' TRP . 4.1 mm? -63.32 173.47 1.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 m -66.0 160.48 62.95 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.705 0.764 . . . . 0.0 110.842 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 1.43 4.43 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.694 2.262 . . . . 0.0 112.351 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 pp -89.27 -37.61 14.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -61.83 -54.63 39.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.403 HD12 ' C ' ' A' ' 88' ' ' LEU . 3.8 pp -51.66 -40.73 60.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 17.7 tmm? -55.95 101.89 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -103.7 -50.74 3.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -137.67 120.06 15.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 86.4 p -65.24 169.71 5.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -159.93 108.3 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -69.02 -55.13 11.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 122.12 -153.21 16.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -100.21 -110.31 3.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 19.1 m -121.66 150.59 41.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.791 0.329 . . . . 0.0 110.902 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.1 p -104.83 124.38 49.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.2 t -114.32 140.16 24.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.576 0.703 . . . . 0.0 111.135 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 174.35 9.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.662 2.241 . . . . 0.0 112.327 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -140.77 -160.06 8.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 81.0 p -92.83 174.48 7.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.382 . . . . 0.0 110.864 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -104.27 139.96 14.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 177.19 5.87 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.0 t -165.84 154.9 11.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.2 m -67.06 156.95 34.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.44 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -65.35 128.66 36.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.892 0.377 . . . . 0.0 110.829 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 t -66.45 87.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.59 -170.19 53.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.479 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 t -67.26 160.91 26.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.918 0.389 . . . . 0.0 110.823 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.8 p -77.63 -48.11 17.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.832 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.21 -52.87 2.48 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.2 p -98.19 141.94 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.888 0.375 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -123.97 146.32 50.66 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 0.0 110.904 179.906 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 163.95 36.35 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.383 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -45.63 1.51 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.74 2.293 . . . . 0.0 112.3 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.418 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 2.9 p80 -121.83 -21.91 5.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 14' ' ' PHE . . . 119.19 -55.46 0.6 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.491 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 61' ' ' ALA . 42.1 m-85 -37.0 148.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.855 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -121.62 166.61 13.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -89.35 149.68 22.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.0 mttt 68.83 27.62 5.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.58 179.88 4.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.469 ' CB ' HG22 ' A' ' 69' ' ' VAL . 28.6 mmtt -122.55 138.15 54.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.424 ' CD1' HG22 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -155.56 140.01 16.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 67' ' ' HIS . 86.7 mt-10 -81.32 116.0 20.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.9 t -108.25 135.61 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.2 t -81.16 123.08 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -60.66 128.97 39.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 26' ' ' ARG . 24.6 mmtt -62.75 -54.33 40.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.54 ' NE ' ' H ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -56.54 -31.81 64.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -135.0 94.03 16.62 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.604 0.716 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -5.18 15.59 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.665 2.243 . . . . 0.0 112.379 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.4 mtm -100.25 9.63 42.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -132.29 136.72 47.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.602 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 20.4 mt -129.18 144.45 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.3 mtt85 -141.69 160.36 40.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.3 t -65.8 145.91 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -133.57 167.77 19.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.3 m -140.58 116.69 10.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.5 t -62.53 102.88 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.98 -42.42 17.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.092 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -141.38 133.81 28.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.2 p -107.91 112.79 25.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.54 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 6.5 t70 -88.52 -175.61 5.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -49.21 -63.34 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -124.98 28.45 6.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -146.7 169.97 17.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.0 m -153.84 118.27 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -64.97 111.1 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 m -92.05 121.11 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 32.1 t60 -103.64 117.88 35.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' ASP . 4.2 m-85 -76.81 97.98 4.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' PHE . 26.3 t70 -35.66 138.03 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.47 -68.13 3.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.489 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.644 ' CD1' ' CD1' ' A' ' 83' ' ' LEU . 62.4 m95 -44.19 164.96 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.836 0.351 . . . . 0.0 110.882 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -72.96 168.4 19.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -78.83 -15.94 57.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 15.9 p -73.15 -15.1 61.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -87.42 -27.07 22.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.402 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 0.9 OUTLIER -54.99 156.46 3.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -157.09 155.73 31.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.54 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 39.7 m95 -80.8 106.03 12.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.947 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.414 HD12 ' NZ ' ' A' ' 25' ' ' LYS . 14.6 tt -108.57 145.52 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.113 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.44 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 7.8 m-20 -73.2 126.39 29.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.478 ' HB3' ' CD1' ' A' ' 14' ' ' PHE . . . -59.26 -20.41 54.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -96.65 5.49 50.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.3 t -65.29 142.15 98.38 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.705 0.764 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -26.86 27.17 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.65 2.233 . . . . 0.0 112.384 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.429 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 0.6 OUTLIER -68.89 -36.03 77.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.44 ' CD1' ' O ' ' A' ' 60' ' ' ASP . 56.7 mt -60.92 118.04 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.073 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 98.2 m-70 -121.96 142.02 35.43 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.561 0.696 . . . . 0.0 110.851 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 157.91 58.79 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.667 2.244 . . . . 0.0 112.34 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.469 HG22 ' CB ' ' A' ' 19' ' ' LYS . 18.0 t -58.56 104.8 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 121.32 11.51 6.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.451 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.602 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 1.2 t90 -70.27 -14.4 62.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.817 0.342 . . . . 0.0 110.958 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 17.3 p -64.56 -22.42 66.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 74' ' ' LYS . 3.1 m -81.0 -56.3 4.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 73' ' ' SER . 8.2 mtpm? -35.24 -73.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.404 HG22 ' CZ2' ' A' ' 71' ' ' TRP . 19.0 p -73.6 -30.25 62.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.75 26.0 23.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.566 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 0.7 OUTLIER -85.54 144.83 40.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.611 0.72 . . . . 0.0 110.832 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 129.85 18.29 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.695 2.263 . . . . 0.0 112.301 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 22.1 tp -96.44 154.28 17.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -118.1 125.48 27.91 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.526 0.679 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 161.74 44.78 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -175.1 1.05 Allowed 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.657 2.238 . . . . 0.0 112.372 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.644 ' CD1' ' CD1' ' A' ' 51' ' ' TRP . 5.0 mp -80.32 177.27 9.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -66.27 156.51 84.86 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.666 0.746 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 0.09 6.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.676 2.25 . . . . 0.0 112.311 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.83 -15.43 34.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.416 ' CD ' HD22 ' A' ' 83' ' ' LEU . 23.5 mt-10 -88.2 -35.74 17.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.401 ' O ' ' CD1' ' A' ' 88' ' ' LEU . 4.5 pp -92.64 26.89 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 31.5 ttm -84.23 164.16 19.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 41.26 39.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -101.13 -57.51 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.053 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.5 m -93.56 118.18 31.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -78.83 105.87 10.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -131.12 153.16 49.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -72.97 132.37 17.0 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.45 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -111.41 116.86 4.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 28.5 p -80.81 153.01 27.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 0.0 110.922 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.9 p -115.52 117.04 29.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 67.1 p -106.97 84.75 1.67 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.555 0.693 . . . . 0.0 111.196 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 170.57 16.27 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.709 2.272 . . . . 0.0 112.321 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -142.06 157.87 26.58 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.449 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.1 m -143.49 -178.31 5.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.904 0.383 . . . . 0.0 110.844 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -167.58 145.77 10.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -171.33 0.46 Allowed 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.733 2.289 . . . . 0.0 112.358 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.8 m -130.99 162.09 30.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.8 p -151.18 172.25 16.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.826 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 t -157.87 144.53 17.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.367 . . . . 0.0 110.842 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.6 p -142.15 170.01 16.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.78 -171.54 22.67 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -83.46 42.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.903 0.382 . . . . 0.0 110.849 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.1 p -162.9 167.45 22.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.04 -57.28 5.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.449 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.411 HG22 ' N ' ' A' ' 9' ' ' LYS . 14.5 p -84.4 143.37 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.901 0.382 . . . . 0.0 111.094 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.411 ' N ' HG22 ' A' ' 8' ' ' VAL . 25.3 mttm -122.03 146.07 45.45 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.571 0.701 . . . . 0.0 110.911 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 110.37 2.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.258 . . . . 0.0 112.389 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -40.75 5.02 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.756 2.304 . . . . 0.0 112.311 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -126.84 -27.79 3.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.18 -50.26 0.87 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.418 ' CZ ' HG23 ' A' ' 66' ' ' ILE . 46.8 m-85 -48.02 145.38 3.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.871 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.442 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 55.0 mt-30 -116.82 179.04 4.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -105.02 152.71 22.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 72.0 mttt 66.78 25.09 9.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.442 ' CE ' HG22 ' A' ' 36' ' ' VAL . 11.3 ptt? -113.44 -174.98 2.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.413 ' C ' HG21 ' A' ' 69' ' ' VAL . 32.2 mmtm -117.47 144.33 45.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.427 ' CD1' HG22 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -157.82 148.67 21.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 67' ' ' HIS . 9.3 mm-40 -91.09 140.46 29.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 23' ' ' VAL . 61.8 t -134.67 138.82 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.468 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 94.4 t -81.34 119.01 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 27' ' ' ASN . 2.4 t70 -52.23 116.03 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -47.32 -58.66 3.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.93 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -62.97 -28.93 70.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 24' ' ' ASP . 3.9 m120 -126.24 91.89 46.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.627 0.727 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.468 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.3 Cg_endo -69.76 -5.66 16.75 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.725 2.283 . . . . 0.0 112.342 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 20.4 mtt -106.01 11.59 31.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -136.51 126.7 26.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.522 HD11 ' CZ3' ' A' ' 71' ' ' TRP . 14.5 mt -121.92 139.69 48.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.161 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.449 ' C ' ' OE1' ' A' ' 21' ' ' GLU . 66.9 mtt85 -131.2 153.16 49.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.41 ' CG2' ' OE2' ' A' ' 21' ' ' GLU . 75.9 t -62.2 146.29 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 20' ' ' LEU . . . -131.41 172.93 11.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.8 m -137.67 112.21 8.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.442 ' CG1' ' O ' ' A' ' 15' ' ' GLN . 21.7 t -62.48 104.11 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.81 -41.73 17.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -148.0 136.61 21.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 78.1 p -109.16 113.0 25.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.137 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.438 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 9.9 t70 -84.35 -179.38 7.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -42.74 -57.58 2.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -133.19 32.61 3.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -147.53 169.68 19.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.9 m -152.46 118.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -66.59 104.28 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.5 m -88.45 113.18 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -101.09 116.04 31.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -75.41 106.39 6.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -43.62 127.81 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.408 ' C ' HD13 ' A' ' 83' ' ' LEU . . . 88.88 -58.93 3.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.443 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -47.72 133.57 13.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.822 0.344 . . . . 0.0 110.873 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -40.82 130.14 2.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 5.9 m-80 -42.53 -44.37 4.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.5 m -43.77 -41.84 5.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 56' ' ' ASP . 35.4 m-85 -50.38 -51.03 49.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 0.7 OUTLIER -34.94 151.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 179.885 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -160.93 154.0 21.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.438 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 52.9 m95 -77.09 105.54 8.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.946 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 17.0 tt -111.57 143.29 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.424 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 78.8 m-20 -66.14 125.33 25.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.411 ' O ' ' CE1' ' A' ' 14' ' ' PHE . . . -59.45 -26.73 65.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -92.49 6.91 45.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.4 t -59.72 139.17 89.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.676 0.751 . . . . 0.0 110.868 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -15.14 36.87 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.709 2.273 . . . . 0.0 112.301 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.57 -32.78 21.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.424 ' CD1' ' O ' ' A' ' 60' ' ' ASP . 56.3 mt -65.1 124.71 20.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 21' ' ' GLU . 99.0 m-70 -126.97 142.15 42.79 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.606 0.717 . . . . 0.0 110.854 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 153.26 69.28 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.413 HG21 ' C ' ' A' ' 19' ' ' LYS . 11.4 t -48.01 -20.66 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.96 33.09 6.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.565 ' CH2' ' HB2' ' A' ' 77' ' ' HIS . 64.9 t90 -94.74 -50.63 5.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.782 0.325 . . . . 0.0 110.967 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.0 p -41.9 -42.51 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 74' ' ' LYS . 36.9 m -78.42 -57.7 3.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 73' ' ' SER . 23.5 mtpp -36.96 -55.19 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.418 HG22 ' NE1' ' A' ' 71' ' ' TRP . 76.7 p -83.5 -44.7 14.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.16 27.76 5.77 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.538 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.565 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 9.9 m-70 -93.3 145.17 29.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.624 0.726 . . . . 0.0 110.805 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 122.84 9.53 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.419 HD12 ' CD ' ' A' ' 21' ' ' GLU . 21.8 tp -94.04 152.36 18.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -115.1 134.49 22.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.585 0.707 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.55 68.25 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.338 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -178.23 2.24 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.706 2.271 . . . . 0.0 112.347 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 50' ' ' GLY . 9.6 mt -47.68 165.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.6 m -69.64 156.64 91.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.646 0.736 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -5.71 16.84 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.715 2.277 . . . . 0.0 112.367 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 pp -91.95 -9.06 44.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -88.66 -49.0 7.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -84.73 34.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 31.1 mtt -67.24 151.82 46.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 39.82 33.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.31 152.95 19.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 t -94.42 145.87 24.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -169.65 176.9 4.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -81.44 143.52 32.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.43 -83.14 1.24 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.459 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.54 66.89 1.48 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.479 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 26.3 p -72.26 145.83 47.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.839 0.352 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 73.9 p -112.41 157.62 20.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.0 t -110.74 141.37 23.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.613 0.721 . . . . 0.0 111.106 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 158.57 56.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.729 2.286 . . . . 0.0 112.311 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 105.45 159.59 23.04 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.459 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.8 t -171.69 108.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.935 0.398 . . . . 0.0 110.861 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -113.37 -158.3 12.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 167.05 25.55 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.652 2.235 . . . . 0.0 112.396 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.2 p -125.18 116.88 22.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.1 m -81.53 151.94 27.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 -179.923 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.6 m -71.58 167.95 18.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.371 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -86.34 114.35 23.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.99 110.68 0.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 t -111.31 -63.77 1.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.911 0.386 . . . . 0.0 110.831 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.7 p 45.08 53.43 7.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.68 39.07 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.8 p -137.27 153.19 28.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 111.132 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -84.41 143.86 42.37 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.559 0.695 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 129.81 18.23 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.733 2.288 . . . . 0.0 112.308 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -41.1 4.61 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.658 2.239 . . . . 0.0 112.395 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.437 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 1.4 p80 -126.06 -40.08 2.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 129.72 37.78 0.35 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.437 ' HB2' ' CE1' ' A' ' 12' ' ' HIS . 16.6 m-85 -138.87 145.82 40.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.341 . . . . 0.0 110.887 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -120.57 162.3 19.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -87.47 149.99 24.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.6 mttp 68.88 25.79 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.469 ' CE ' HG22 ' A' ' 36' ' ' VAL . 12.2 ptt? -110.8 173.78 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.456 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 40.1 mmtm -114.55 149.19 36.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.444 HD11 ' CG2' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -164.2 140.51 6.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 67' ' ' HIS . 84.5 mt-10 -81.34 116.81 21.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.444 ' CG2' HD11 ' A' ' 20' ' ' LEU . 59.8 t -110.35 138.92 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.119 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.465 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 98.6 t -81.98 114.3 22.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 27' ' ' ASN . 19.7 t0 -52.72 109.38 0.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 1.7 mmmm -43.3 -58.94 2.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -57.86 -34.53 69.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 24' ' ' ASP . 1.6 m-20 -126.98 90.59 49.1 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.465 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.7 Cg_endo -69.75 -14.81 36.65 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.362 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -92.35 11.96 24.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -135.22 135.59 41.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.826 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.559 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 34.1 mt -129.27 143.45 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.421 ' N ' HG23 ' A' ' 31' ' ' ILE . 44.3 mtt180 -140.82 178.24 7.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.456 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 76.0 t -85.2 137.2 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.423 ' N ' HG12 ' A' ' 33' ' ' VAL . . . -121.3 161.71 21.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.4 m -129.96 106.11 8.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.13 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.469 HG22 ' CE ' ' A' ' 18' ' ' MET . 11.7 t -56.95 104.0 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.12 -49.47 8.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -135.74 134.63 39.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.2 p -107.05 110.71 22.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 43' ' ' ARG . 12.4 t0 -75.55 -174.76 2.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.824 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.86 -39.2 83.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.456 ' CD2' ' N ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -132.24 9.76 4.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 40' ' ' ASP . 17.0 mtt85 -142.25 173.4 11.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.1 m -152.66 118.93 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.178 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -64.2 119.17 9.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.6 m -103.91 117.09 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -104.72 121.08 42.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -76.91 115.31 16.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -49.49 125.53 11.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.78 -45.34 2.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.45 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.564 ' CD1' HD13 ' A' ' 83' ' ' LEU . 11.8 m0 -59.59 156.4 13.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 110.916 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -69.81 138.37 52.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.429 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 5.9 m120 -41.9 -41.18 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 60.9 m -45.71 -58.76 3.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 56' ' ' ASP . 74.0 m-85 -38.81 -45.55 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 2.8 m-20 -36.53 147.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.415 ' CZ ' ' HD3' ' A' ' 25' ' ' LYS . 4.1 p90 -156.42 145.99 20.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.975 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.476 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 50.9 m95 -72.65 105.37 4.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.1 tt -107.39 142.43 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.65 129.55 40.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.07 -27.31 68.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.68 23.26 8.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.8 t -78.89 141.53 59.3 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.661 0.743 . . . . 0.0 110.828 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -22.55 31.71 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.326 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.44 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 0.1 OUTLIER -74.9 -33.13 61.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.0 mt -64.56 123.74 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.135 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.53 ' HB3' ' CD1' ' A' ' 71' ' ' TRP . 85.0 m-70 -128.88 143.39 48.47 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.611 0.719 . . . . 0.0 110.842 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 158.43 57.02 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.347 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.5 t -50.2 -24.69 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -96.59 38.08 3.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.559 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 84.4 t90 -94.01 -61.44 1.53 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.756 0.312 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 30.1 p -41.13 -24.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' TRP . 47.7 m -91.18 -61.43 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.554 ' HE2' ' CD1' ' A' ' 71' ' ' TRP . 26.4 pttt -46.38 -33.54 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.51 HG21 ' CE2' ' A' ' 71' ' ' TRP . 36.1 p -99.8 -15.45 18.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.95 25.15 75.94 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.527 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 8.6 m-70 -91.53 151.13 42.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 141.45 44.93 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.0 tp -116.49 155.6 28.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -115.06 131.84 23.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.728 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 149.32 66.79 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.731 2.287 . . . . 0.0 112.377 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -166.44 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.709 2.273 . . . . 0.0 112.331 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.564 HD13 ' CD1' ' A' ' 51' ' ' TRP . 6.8 mp -98.32 166.79 11.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 m -77.01 159.35 78.65 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.665 0.745 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 0.47 5.62 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 pp -88.48 -34.14 17.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -62.0 -56.32 20.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -88.58 25.89 1.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 42.9 ttm -46.4 132.7 10.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -86.08 161.61 18.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -91.29 -44.58 9.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.6 t -123.1 105.25 9.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -79.02 161.48 26.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -135.88 149.01 48.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.36 160.49 52.29 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.533 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -164.01 -121.43 0.56 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 3.0 t -70.04 137.99 51.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.825 0.345 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.7 m -96.76 128.89 44.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.617 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 71.9 m 65.21 43.09 0.37 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.72 . . . . 0.0 111.168 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 99' ' ' THR . 53.9 Cg_endo -69.67 -42.21 3.7 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.383 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 143.88 81.82 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.7 p -55.65 -50.37 70.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.938 0.399 . . . . 0.0 110.869 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.59 84.31 0.12 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 122.77 9.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.5 p -128.17 158.54 37.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.2 m -128.89 164.66 22.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.507 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.8 p -140.41 162.53 35.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.875 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 p -68.51 169.55 10.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.07 126.93 3.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 p -107.39 158.46 17.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.889 0.376 . . . . 0.0 110.84 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -136.42 160.77 37.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.92 -69.0 0.24 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.456 HG21 ' N ' ' A' ' 9' ' ' LYS . 11.2 p -119.37 140.71 42.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.855 0.36 . . . . 0.0 111.147 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.456 ' N ' HG21 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -102.34 143.96 27.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.575 0.702 . . . . 0.0 110.91 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 168.49 21.49 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -45.55 1.55 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.529 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 1.3 p80 -126.39 -42.23 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.75 29.11 1.08 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.529 ' HB2' ' CE1' ' A' ' 12' ' ' HIS . 4.9 m-85 -121.8 169.29 10.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 110.875 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -139.72 165.42 27.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -93.18 156.3 16.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.5 mttm 63.97 27.27 14.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.3 ptt? -113.97 172.52 6.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.881 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.434 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 35.6 mmtm -110.03 146.59 35.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -164.07 141.0 6.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.462 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 81.2 mt-10 -81.64 116.26 21.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.1 t -109.2 139.45 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.15 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.8 t -80.06 115.25 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -53.25 115.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 10.8 mmmt -51.25 -58.4 6.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -56.18 -30.93 62.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -131.84 92.71 29.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.658 0.742 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -4.69 14.52 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 35.5 mtm -103.1 12.02 36.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -135.41 131.62 36.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.537 HD13 ' CZ3' ' A' ' 71' ' ' TRP . 39.5 mt -127.91 136.55 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.189 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.6 mtt85 -137.97 165.14 27.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 34' ' ' ALA . 86.2 t -66.08 144.12 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.435 ' N ' HG13 ' A' ' 33' ' ' VAL . . . -128.99 172.46 11.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.113 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.3 m -138.09 112.4 8.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.8 t -66.92 104.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.11 -43.67 23.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.044 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -148.86 142.89 25.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 65.2 p -112.32 116.05 29.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.469 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 6.2 t70 -86.69 -176.47 5.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -44.48 -61.09 1.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -129.06 27.98 5.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.1 mtm-85 -141.89 170.05 16.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.8 m -153.79 118.68 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -67.12 108.71 2.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.7 m -98.85 116.46 41.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -104.96 132.6 51.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -87.21 130.8 34.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -79.67 141.87 36.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.423 ' C ' ' HB2' ' A' ' 83' ' ' LEU . . . 83.62 -30.01 3.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.514 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.503 ' CD1' HD12 ' A' ' 83' ' ' LEU . 15.4 m0 -66.5 166.89 11.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -79.46 -173.78 3.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.483 ' O ' ' CD1' ' A' ' 55' ' ' TYR . 36.7 m-20 -87.35 172.87 9.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 53' ' ' ASN . 1.3 m 69.09 33.38 3.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.483 ' CD1' ' O ' ' A' ' 53' ' ' ASN . 76.4 m-85 -119.23 -49.61 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.457 ' C ' ' O ' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -33.96 130.03 0.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -143.19 149.3 37.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.469 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 51.6 m95 -80.15 105.06 11.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.448 ' CG2' HD12 ' A' ' 66' ' ' ILE . 14.0 tt -107.25 136.11 43.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.72 124.77 21.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.25 -20.69 63.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.054 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -95.99 6.11 49.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.5 t -69.09 136.45 89.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.667 0.746 . . . . 0.0 110.893 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -9.66 26.68 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.753 2.302 . . . . 0.0 112.371 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.07 -31.89 39.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.448 HD12 ' CG2' ' A' ' 59' ' ' ILE . 41.5 mt -71.64 130.96 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.463 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 94.8 m-70 -129.14 143.11 47.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.586 0.707 . . . . 0.0 110.85 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 158.24 57.61 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.0 t -59.28 101.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 122.16 16.2 4.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.558 ' CH2' ' HB2' ' A' ' 77' ' ' HIS . 1.7 t90 -74.18 -18.75 60.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.769 0.318 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.1 p -54.82 -40.89 70.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 74' ' ' LYS . 38.2 t -77.06 -48.94 16.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' SER . 24.6 mtpp -37.17 -61.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.6 p -83.74 -44.17 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.2 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.88 28.53 3.12 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.558 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 8.1 m80 -102.29 143.51 26.75 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.585 0.707 . . . . 0.0 110.837 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 137.72 36.13 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.4 tp -102.68 138.97 38.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -100.57 130.98 24.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.615 0.722 . . . . 0.0 110.935 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 150.27 68.06 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 165.95 29.24 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.656 2.238 . . . . 0.0 112.387 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.503 HD12 ' CD1' ' A' ' 51' ' ' TRP . 7.2 mp -79.18 165.58 23.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.435 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 1.8 m -62.73 158.79 49.16 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.688 0.756 . . . . 0.0 110.858 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.408 ' C ' HD22 ' A' ' 88' ' ' LEU . 53.8 Cg_endo -69.81 1.5 4.41 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.435 ' CD2' ' HB3' ' A' ' 84' ' ' SER . 0.1 OUTLIER -104.65 -39.52 6.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -45.94 -21.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.408 HD22 ' C ' ' A' ' 85' ' ' PRO . 1.3 pt? -105.39 46.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 41.1 mtt -122.42 154.47 37.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 91' ' ' ALA . 18.8 tt0 -133.22 133.89 43.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 90' ' ' GLU . . . -35.12 149.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.2 m -106.38 -50.89 3.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.473 ' C ' ' CD ' ' A' ' 93' ' ' GLU . 1.3 pp20? -117.07 165.74 13.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -133.47 117.81 17.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 137.84 62.82 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.524 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -75.71 -76.84 0.76 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.411 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 27.9 p -93.7 153.84 18.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.808 0.337 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.3 t 62.06 51.68 3.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.09 144.13 28.01 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.574 0.702 . . . . 0.0 111.124 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 149.87 67.56 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 0.0 112.361 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 157.93 132.14 1.39 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 79.5 p -122.43 173.74 7.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 0.0 110.839 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.59 162.28 47.18 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 169.15 19.59 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.0 t -155.81 176.2 12.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.6 p -47.03 -37.64 9.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.45 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 m -77.16 93.09 3.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.911 0.386 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 t -155.43 152.65 29.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.53 73.27 2.61 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.517 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.0 p -140.22 163.28 33.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 110.854 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -115.99 172.25 7.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 44.72 81.08 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.446 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.5 p -103.52 149.71 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.386 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 pttm -100.24 143.49 26.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.569 0.699 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 135.86 31.46 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.346 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.433 ' CB ' ' O ' ' A' ' 41' ' ' ASP . 53.9 Cg_endo -69.78 -38.99 7.0 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.502 ' CE1' ' CG1' ' A' ' 44' ' ' VAL . 10.4 p80 -162.59 -174.96 4.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.31 56.66 0.52 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.525 ' CE2' HG21 ' A' ' 66' ' ' ILE . 40.0 m-85 -139.52 146.6 40.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.794 0.331 . . . . 0.0 110.899 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -125.11 170.16 11.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.458 ' CE ' ' HA ' ' A' ' 38' ' ' ASP . 19.1 mttt -89.39 147.64 23.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.0 mttt 67.94 33.56 4.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 10.0 ptt? -120.19 174.81 6.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.464 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 20.0 mmtp -111.11 147.67 34.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.434 ' CD1' HG23 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -164.66 139.55 5.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.463 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 89.0 mt-10 -84.53 123.66 30.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.9 t -116.54 139.42 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.45 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 95.5 t -79.09 118.94 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -56.83 106.94 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -42.17 -58.37 2.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.7 ptt85 -54.3 -41.04 68.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -126.98 95.96 35.74 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.634 0.731 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.45 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 54.5 Cg_endo -69.72 -3.11 11.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.262 . . . . 0.0 112.398 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -101.9 12.31 37.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -136.25 122.06 19.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.566 ' CD1' ' CH2' ' A' ' 71' ' ' TRP . 34.3 mt -121.09 138.15 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -137.66 168.22 20.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.464 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 59.3 t -74.21 139.8 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.46 ' N ' HG12 ' A' ' 33' ' ' VAL . . . -123.23 174.2 7.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.8 m -138.63 112.16 8.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.154 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.1 t -64.35 103.98 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.27 -45.76 19.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.458 ' HA ' ' CE ' ' A' ' 16' ' ' LYS . 5.8 t0 -146.85 138.62 24.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 70.4 p -104.42 109.29 21.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 2.0 t70 -77.2 179.06 6.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 11' ' ' PRO . 4.9 m-20 -47.76 -57.22 5.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -128.28 17.78 6.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 40' ' ' ASP . 37.4 mtt85 -138.69 170.99 15.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.502 ' CG1' ' CE1' ' A' ' 12' ' ' HIS . 27.8 m -150.16 131.29 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -76.79 107.59 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.5 m -93.0 113.74 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -105.36 125.54 51.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -81.56 117.11 21.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -47.57 117.47 1.83 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.92 -40.83 2.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -58.66 145.82 38.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.31 . . . . 0.0 110.964 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -61.96 146.26 50.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -46.42 -39.07 9.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.0 m -53.12 -50.21 64.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.443 ' O ' ' C ' ' A' ' 56' ' ' ASP . 10.1 m-85 -44.1 -54.96 5.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 55' ' ' TYR . 2.2 m-20 -34.21 148.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.902 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -154.9 148.23 25.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.487 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 46.1 m95 -75.66 105.16 6.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 16.2 tt -107.62 143.6 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 63' ' ' SER . 4.7 m-20 -72.32 121.69 19.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.24 -37.82 65.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -72.48 1.99 7.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 60' ' ' ASP . 20.5 t -67.75 133.73 92.38 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.712 0.767 . . . . 0.0 110.841 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -23.81 30.62 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -65.67 -34.24 77.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.525 HG21 ' CE2' ' A' ' 14' ' ' PHE . 83.4 mt -63.29 130.46 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.48 ' HB3' ' CG ' ' A' ' 71' ' ' TRP . 87.5 m-70 -129.11 142.32 44.79 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.544 0.688 . . . . 0.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 153.96 68.41 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.6 t -45.68 -29.12 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.143 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.31 45.56 1.54 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.566 ' CH2' ' CD1' ' A' ' 31' ' ' ILE . 81.3 t90 -95.14 -53.31 3.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.789 0.328 . . . . 0.0 110.921 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 71' ' ' TRP . 32.0 p -35.85 -39.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 74' ' ' LYS . 13.3 p -72.66 -64.56 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' SER . 14.7 mtpp -34.28 -66.94 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.6 p -75.44 -20.06 59.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.9 33.38 57.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.519 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.427 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 5.1 m-70 -99.06 150.98 37.2 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 0.0 110.826 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 148.57 64.95 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.306 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 29.7 tp -118.66 150.16 40.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -108.98 132.15 21.36 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.556 0.693 . . . . 0.0 110.96 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 149.73 67.45 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.349 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 177.74 5.27 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.38 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.6 mp -60.18 154.38 19.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.4 m -45.55 157.54 0.37 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.606 0.717 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -2.46 10.19 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.621 2.214 . . . . 0.0 112.414 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.1 pp -106.61 -30.79 8.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.03 -28.77 69.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.8 pp -66.51 -37.79 85.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -46.13 83.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -47.37 -52.42 16.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.45 138.26 40.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 17.3 t -163.41 140.58 7.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -104.0 126.12 50.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.9 p80 37.98 37.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -92.17 113.99 4.5 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.516 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.29 53.11 0.16 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 87.8 m -89.47 126.67 35.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 0.0 110.855 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.8 p -115.9 79.11 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.1 p -93.56 147.82 34.34 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.555 0.693 . . . . 0.0 111.169 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 89.86 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.717 2.278 . . . . 0.0 112.331 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -173.14 -101.07 0.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.459 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 93.4 p -95.33 143.57 26.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.907 0.384 . . . . 0.0 110.858 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 166.64 -85.06 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.513 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -14.36 35.92 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.71 2.273 . . . . 0.0 112.367 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 85.3 p -49.13 155.91 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.4 t -96.52 155.06 16.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 -179.913 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 m -140.88 177.22 8.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 110.874 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -60.92 168.18 2.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.47 79.33 0.39 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -42.84 122.36 2.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 m -101.76 90.98 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.16 45.62 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.446 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.406 ' C ' ' HD2' ' A' ' 9' ' ' LYS . 26.3 m -118.06 171.52 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.9 0.381 . . . . 0.0 111.139 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.406 ' HD2' ' C ' ' A' ' 8' ' ' VAL . 4.8 mptt -139.56 143.84 37.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.603 0.716 . . . . 0.0 110.916 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 141.5 45.37 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.656 2.237 . . . . 0.0 112.337 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -40.37 5.38 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.685 2.257 . . . . 0.0 112.323 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.435 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 1.3 p80 -131.88 -41.55 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.99 34.95 0.31 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.437 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.435 ' HB2' ' CE1' ' A' ' 12' ' ' HIS . 18.9 m-85 -139.21 154.88 48.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 110.891 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -125.88 174.6 8.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -102.25 156.14 17.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.4 mtmt 66.18 25.24 10.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 15.7 ptt? -113.28 172.5 6.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.44 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 20.9 mmtp -112.37 145.99 39.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.99 140.76 6.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.455 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 69.9 mt-10 -81.3 115.43 20.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.3 t -108.31 146.63 13.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.454 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 54.2 t -85.63 118.25 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.122 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -51.13 134.23 27.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -69.69 -38.9 77.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.752 ' HE ' ' N ' ' A' ' 26' ' ' ARG . 0.8 OUTLIER -66.68 -38.26 86.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -138.51 104.99 7.69 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.579 0.704 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.454 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 54.2 Cg_endo -69.7 -3.03 11.16 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.347 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.2 mmt -97.17 8.25 44.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -131.24 133.45 45.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.644 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 23.7 mt -129.1 140.7 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.088 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.451 ' NH2' ' O ' ' A' ' 81' ' ' PRO . 17.2 mtp85 -141.23 171.92 13.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.819 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.44 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 68.4 t -72.18 145.85 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -131.23 168.9 16.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 84.8 m -139.68 107.2 5.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.9 t -62.22 102.83 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.106 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.94 -47.6 16.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -140.56 145.33 36.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.432 HG23 ' CG1' ' A' ' 44' ' ' VAL . 74.5 p -115.97 121.32 41.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.521 ' OD1' ' CH2' ' A' ' 58' ' ' TRP . 5.8 m-20 -92.49 -175.24 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -45.77 -63.3 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -127.01 32.11 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.9 mtt85 -146.5 168.35 21.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.432 ' CG1' HG23 ' A' ' 39' ' ' THR . 4.2 m -151.24 118.31 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -65.61 109.45 2.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.9 m -99.1 114.5 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -101.26 138.83 37.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -94.28 102.64 14.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -45.17 123.69 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 103.3 -45.82 1.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.565 ' CD1' HD21 ' A' ' 83' ' ' LEU . 30.0 m95 -72.81 145.34 47.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.831 0.348 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -46.88 132.58 11.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.439 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 24.1 m-80 -47.84 -33.26 7.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.1 m -51.09 -47.47 61.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.449 ' O ' ' C ' ' A' ' 56' ' ' ASP . 35.3 m-85 -46.28 -41.32 12.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 55' ' ' TYR . 17.9 m-20 -34.41 144.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -150.68 155.89 40.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.521 ' CH2' ' OD1' ' A' ' 40' ' ' ASP . 47.8 m95 -86.15 105.54 16.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.415 ' CG2' HD12 ' A' ' 66' ' ' ILE . 16.2 tt -105.23 144.29 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.78 125.1 24.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.09 -24.86 64.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -94.54 17.14 13.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.1 t -81.64 136.8 48.1 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.63 0.729 . . . . 0.0 110.875 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -16.63 37.55 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.374 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.41 -32.94 70.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.415 HD12 ' CG2' ' A' ' 59' ' ' ILE . 66.5 mt -68.06 129.08 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.458 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 93.3 m-70 -129.09 142.74 46.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.609 0.719 . . . . 0.0 110.871 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 158.91 55.36 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.695 2.263 . . . . 0.0 112.339 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.5 t -60.16 103.48 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.089 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 123.77 6.7 7.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.644 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 3.0 t90 -66.56 -14.65 62.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.336 . . . . 0.0 110.969 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 16.7 p -70.02 -24.64 63.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.1 m -88.93 -50.44 6.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -39.26 -65.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.8 p -77.64 -43.17 32.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 110.08 29.11 3.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.471 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 4.1 m80 -94.19 145.83 30.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.582 0.706 . . . . 0.0 110.835 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 139.07 39.33 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.638 2.225 . . . . 0.0 112.37 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.4 tp -108.21 140.46 41.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.952 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -105.9 127.45 28.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.628 0.728 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.451 ' O ' ' NH2' ' A' ' 32' ' ' ARG . 53.6 Cg_endo -69.8 154.73 67.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -167.84 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.325 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.565 HD21 ' CD1' ' A' ' 51' ' ' TRP . 4.5 mm? -70.51 175.19 4.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.6 m -62.31 158.34 48.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.683 0.754 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -0.93 7.58 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.259 . . . . 0.0 112.379 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 pp -105.89 -20.94 13.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -71.17 -53.74 13.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.417 ' CD1' ' N ' ' A' ' 89' ' ' MET . 3.7 pp -48.59 -48.98 38.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.417 ' N ' ' CD1' ' A' ' 88' ' ' LEU . 2.9 ppp? -75.24 155.28 36.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -134.66 122.29 22.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.03 156.15 25.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.041 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.0 t -126.56 -48.42 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -153.32 124.73 7.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -41.34 161.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -178.26 179.01 48.67 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.523 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.46 91.81 2.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 5.6 t -98.88 106.64 18.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.787 0.327 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.0 m -63.85 152.77 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 41.3 p -110.55 152.62 43.5 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.587 0.708 . . . . 0.0 111.104 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -175.89 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.649 2.233 . . . . 0.0 112.367 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -179.2 -119.08 0.6 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.4 t -58.95 159.0 7.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.915 0.388 . . . . 0.0 110.849 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -123.24 -157.45 9.87 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 135.89 31.54 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.294 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 79.7 p -88.41 -59.09 2.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.2 t -132.9 154.39 50.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.453 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -84.59 88.5 7.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.877 0.37 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -83.34 -58.02 3.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.86 61.12 4.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.2 m -124.19 81.71 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.84 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.3 p -167.36 135.58 2.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.79 100.5 1.79 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.458 HG21 ' N ' ' A' ' 9' ' ' LYS . 15.0 p -127.76 144.74 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.941 0.4 . . . . 0.0 111.11 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.458 ' N ' HG21 ' A' ' 8' ' ' VAL . 55.1 mtmt -98.22 151.05 37.33 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.587 0.708 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 121.23 7.92 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.85 -46.46 1.18 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.704 2.269 . . . . 0.0 112.31 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.48 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 1.2 p80 -125.12 -48.27 1.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.88 30.31 0.33 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.447 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.48 ' HB2' ' CE1' ' A' ' 12' ' ' HIS . 32.0 m-85 -128.91 145.06 51.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 110.87 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -115.56 166.15 12.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -94.0 154.45 17.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.6 mttm 68.4 24.98 7.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.915 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.406 ' CE ' HG22 ' A' ' 36' ' ' VAL . 11.7 ptt? -114.19 178.14 4.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.427 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 21.6 mmtm -115.19 152.61 32.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.945 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.421 ' CD1' HG21 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -167.0 140.71 3.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.423 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 75.1 mt-10 -81.16 117.47 21.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 23' ' ' VAL . 42.7 t -113.08 142.1 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.454 ' N ' HG12 ' A' ' 22' ' ' VAL . 92.0 t -83.56 118.08 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -56.12 121.25 8.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -54.17 -58.26 8.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.519 ' NH1' ' CE1' ' A' ' 55' ' ' TYR . 7.6 ptm180 -53.03 -35.88 59.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -133.0 96.06 18.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.447 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.6 Cg_endo -69.74 -9.74 26.87 Favored 'Trans proline' 0 N--CA 1.466 -0.128 0 C-N-CA 122.738 2.292 . . . . 0.0 112.35 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.4 mtt -94.84 13.39 24.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -135.84 129.44 32.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.512 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 28.9 mt -125.0 130.2 73.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -130.18 168.92 16.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.427 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 50.2 t -69.94 150.15 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -136.85 167.37 21.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.5 m -135.09 112.51 10.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.406 HG22 ' CE ' ' A' ' 18' ' ' MET . 35.7 t -60.71 103.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.23 -55.36 5.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.092 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.411 ' HB3' ' CH2' ' A' ' 58' ' ' TRP . 2.3 t70 -139.26 135.43 33.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 70.3 p -104.85 110.38 22.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.461 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 9.9 t0 -83.62 -178.22 6.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -41.57 -68.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -123.9 33.44 5.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.3 mtt85 -148.13 173.57 12.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.6 m -156.66 121.19 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -72.41 103.85 3.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.9 m -82.72 120.68 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -103.87 119.08 38.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.825 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.798 ' CD2' ' CZ2' ' A' ' 51' ' ' TRP . 83.6 m-85 -85.75 103.64 14.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -57.54 126.92 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.422 ' C ' ' HB2' ' A' ' 83' ' ' LEU . . . 101.71 -42.18 1.97 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.798 ' CZ2' ' CD2' ' A' ' 48' ' ' PHE . 18.9 m0 -48.52 171.48 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.727 0.298 . . . . 0.0 110.939 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -123.06 -174.03 2.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.501 ' O ' ' N ' ' A' ' 55' ' ' TYR . 5.1 t-20 39.1 42.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 56' ' ' ASP . 1.7 m 32.0 36.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.519 ' CE1' ' NH1' ' A' ' 26' ' ' ARG . 7.3 m-85 -33.4 -34.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.6 OUTLIER -34.55 150.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -152.88 167.51 28.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.461 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 53.6 m95 -84.13 105.89 15.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 16.9 tt -111.34 143.04 21.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.162 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.437 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 2.2 m-20 -66.01 127.81 33.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.453 ' O ' ' CE1' ' A' ' 14' ' ' PHE . . . -61.71 -25.46 67.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.89 14.57 21.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 t -72.95 140.95 81.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.617 0.722 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -20.14 35.55 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.45 -28.8 52.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.437 ' CD1' ' O ' ' A' ' 60' ' ' ASP . 54.2 mt -71.67 124.13 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.46 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 98.2 m-70 -125.72 142.55 42.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.714 . . . . 0.0 110.868 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 164.95 32.65 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.322 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.1 t -64.97 97.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.79 18.01 2.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.515 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.512 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 1.4 t90 -76.1 -23.77 54.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.783 0.325 . . . . 0.0 110.93 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.428 ' HA ' ' CE3' ' A' ' 71' ' ' TRP . 26.9 p -50.89 -43.05 59.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 74' ' ' LYS . 3.8 m -72.26 -51.52 20.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 73' ' ' SER . 47.2 mtpt -35.18 -65.45 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.7 p -78.21 -47.33 18.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.04 32.68 1.8 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.519 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.507 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 0.6 OUTLIER -108.69 149.66 39.75 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.563 0.697 . . . . 0.0 110.85 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 147.35 62.7 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.679 2.253 . . . . 0.0 112.394 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.3 tp -114.83 147.14 40.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -112.29 131.52 22.54 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.547 0.689 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.37 60.63 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.648 2.232 . . . . 0.0 112.392 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 160.34 50.06 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.422 ' HB2' ' C ' ' A' ' 50' ' ' GLY . 8.4 mp -65.02 135.41 55.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 m -65.2 161.6 47.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.661 0.743 . . . . 0.0 110.828 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 2.96 3.07 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.348 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.1 pp -94.84 -29.23 14.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -63.34 -31.21 72.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.0 pp -93.91 36.69 1.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 37.7 mtt -90.61 97.21 11.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -111.91 138.03 49.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.853 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.72 100.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.06 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.9 t -154.3 116.34 4.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -45.13 106.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -99.88 171.89 7.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -105.63 -133.91 7.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.447 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 44.25 49.76 8.05 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.49 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 75.6 m -83.5 100.71 10.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.1 m -166.18 138.96 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.8 t -155.73 127.57 3.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 111.165 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 159.19 54.32 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.315 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -153.02 113.18 0.56 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.532 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 54.0 p -168.6 170.8 9.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.925 0.393 . . . . 0.0 110.855 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 174.64 95.0 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 172.93 11.71 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.636 2.224 . . . . 0.0 112.359 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.5 p -136.78 179.13 6.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 91.2 p -143.67 148.5 35.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.822 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 m -114.38 96.75 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.338 . . . . 0.0 110.869 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 m -74.79 -59.52 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.21 64.03 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.461 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 p -112.54 127.42 56.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 110.87 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.5 p -134.62 139.59 45.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.12 59.99 7.06 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.6 p -128.91 144.66 37.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.941 0.401 . . . . 0.0 111.126 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 9' ' ' LYS . 1.3 mppt? -110.92 143.76 28.94 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.59 0.71 . . . . 0.0 110.862 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 138.49 37.87 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.703 2.268 . . . . 0.0 112.347 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -46.84 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.673 2.249 . . . . 0.0 112.33 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.423 ' CE1' ' HB ' ' A' ' 39' ' ' THR . 1.8 p80 -118.86 -24.77 6.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.75 -45.09 1.28 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.462 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.412 ' CD2' ' HE1' ' A' ' 18' ' ' MET . 5.4 m-85 -47.02 157.82 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.786 0.327 . . . . 0.0 110.886 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -128.36 161.95 28.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.432 ' NZ ' ' HB2' ' A' ' 16' ' ' LYS . 1.7 mtmp? -90.71 163.82 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? 61.81 25.15 15.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.412 ' HE1' ' CD2' ' A' ' 14' ' ' PHE . 9.7 ptt? -114.75 -178.5 3.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.472 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 40.9 mmtm -119.81 147.6 44.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.462 ' CD1' HG21 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -159.57 139.59 11.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.47 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 52.1 mt-10 -81.03 115.69 20.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.462 HG21 ' CD1' ' A' ' 20' ' ' LEU . 21.7 t -109.84 147.64 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.456 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 98.9 t -90.67 114.26 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 27' ' ' ASN . 21.1 t0 -52.86 107.99 0.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 10.6 mmmt -42.04 -52.49 4.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -63.27 -28.23 69.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' ASP . 48.9 m-20 -131.24 91.3 35.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.456 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.8 Cg_endo -69.77 -7.17 20.38 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.692 2.261 . . . . 0.0 112.307 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 26.0 mmt -105.55 14.38 28.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -136.57 127.19 27.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.542 HD12 ' CZ3' ' A' ' 71' ' ' TRP . 43.0 mt -122.92 133.92 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.436 ' N ' HG23 ' A' ' 31' ' ' ILE . 93.5 mtt180 -127.35 -175.0 3.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.472 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 25.4 t -87.9 142.1 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.16 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -131.72 162.01 31.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.5 m -133.17 114.8 14.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.138 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.9 t -60.06 102.47 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.32 -54.43 6.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -139.59 133.37 30.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.423 ' HB ' ' CE1' ' A' ' 12' ' ' HIS . 49.1 p -102.87 109.26 20.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 43' ' ' ARG . 29.7 m-20 -83.97 -177.29 6.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.557 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 26.1 m-20 -38.3 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.557 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 3.9 m-70 -121.04 34.23 5.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 40' ' ' ASP . 24.4 mtt85 -148.55 161.72 41.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.3 m -142.93 117.86 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -66.22 108.03 2.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.4 m -89.2 113.26 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.439 ' ND1' ' OD2' ' A' ' 56' ' ' ASP . 7.7 t60 -101.12 118.17 36.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.573 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 7.5 m-85 -83.17 112.26 19.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 82' ' ' PRO . 1.6 t70 -61.61 134.15 56.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.67 -41.36 2.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.573 ' CD1' ' HB3' ' A' ' 48' ' ' PHE . 18.1 m95 -52.13 171.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.811 0.338 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 87' ' ' GLU . 2.0 m-80 -125.33 -174.7 3.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 54' ' ' CYS . 46.1 t30 38.89 42.11 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 56' ' ' ASP . 1.7 m 33.89 39.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -37.81 -27.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.9 OUTLIER -39.15 159.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -155.34 162.66 40.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -82.08 105.54 13.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 16.1 tt -110.69 145.09 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.444 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 3.7 m-20 -70.66 126.46 29.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.38 -22.62 54.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -92.08 -2.86 56.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.0 t -54.82 137.02 64.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.652 0.739 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -18.31 37.24 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.622 2.215 . . . . 0.0 112.358 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.77 -26.86 40.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.444 ' CD1' ' O ' ' A' ' 60' ' ' ASP . 68.9 mt -71.26 126.18 31.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.503 ' HB3' ' CG ' ' A' ' 71' ' ' TRP . 91.5 m-70 -129.16 145.54 57.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.64 0.733 . . . . 0.0 110.863 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 158.79 55.69 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.654 2.236 . . . . 0.0 112.314 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.8 t -50.48 -30.53 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.02 40.46 2.54 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.453 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.559 ' CH2' ' HB2' ' A' ' 77' ' ' HIS . 70.3 t90 -91.03 -51.69 5.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.792 0.33 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 71' ' ' TRP . 31.9 p -35.94 -39.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 74' ' ' LYS . 66.7 m -68.3 -66.28 0.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 73' ' ' SER . 24.0 mttt -33.64 -70.71 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.508 HG22 ' CE2' ' A' ' 71' ' ' TRP . 1.5 p -68.77 -41.72 78.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.181 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.61 31.61 7.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.479 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.559 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 1.0 OUTLIER -97.17 145.6 29.9 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.836 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 123.81 10.48 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.653 2.235 . . . . 0.0 112.393 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.8 tp -90.79 145.96 24.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -116.02 134.28 22.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.623 0.725 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 168.72 20.83 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.425 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 54.0 Cg_endo -69.75 164.47 34.41 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.692 2.261 . . . . 0.0 112.394 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.441 ' CD1' ' HA ' ' A' ' 51' ' ' TRP . 13.5 mt -52.43 162.6 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.6 m -56.48 148.12 46.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.666 0.745 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 3.1 2.93 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.691 2.26 . . . . 0.0 112.318 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -102.25 -26.3 13.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.424 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 51.3 mt-10 -65.96 -8.94 25.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -130.26 38.67 3.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.451 ' O ' ' C ' ' A' ' 90' ' ' GLU . 40.4 ttp -101.88 35.5 2.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 89' ' ' MET . 6.2 tp10 -34.54 -54.88 0.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -126.46 124.04 39.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.2 m -67.28 128.92 38.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -118.28 115.38 24.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -135.4 119.97 18.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -132.76 153.74 20.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -82.92 -173.64 49.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.509 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 8.1 t -170.89 148.07 2.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.6 t -82.2 109.37 16.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 56.2 m -139.41 132.31 15.44 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.535 0.683 . . . . 0.0 111.164 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 127.16 14.2 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.722 2.281 . . . . 0.0 112.349 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -133.87 176.4 19.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.444 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.2 m -133.96 174.97 9.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.914 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -162.54 146.5 11.96 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -45.08 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.637 2.225 . . . . 0.0 112.354 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.6 t 72.29 40.81 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.0 t -67.45 116.48 8.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.499 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t 67.99 41.98 1.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 0.0 110.854 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.9 p -102.88 167.83 9.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.87 57.44 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.9 p -162.94 163.39 26.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.854 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m -89.7 87.02 6.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.85 -54.05 1.34 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.8 p -91.69 153.54 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.963 0.411 . . . . 0.0 111.089 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.67 150.9 53.46 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.541 0.686 . . . . 0.0 110.955 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 110.32 2.52 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.746 2.298 . . . . 0.0 112.306 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -41.59 4.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.642 2.228 . . . . 0.0 112.337 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.452 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 1.6 p80 -119.28 -35.16 3.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.57 39.47 0.84 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.452 ' HB2' ' CE1' ' A' ' 12' ' ' HIS . 12.3 m-85 -133.29 152.9 51.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.788 0.328 . . . . 0.0 110.898 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -120.53 158.27 27.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -90.89 149.41 21.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.7 mttm 71.38 27.58 3.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.8 ptt? -111.62 177.85 4.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.474 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 39.2 mmtt -118.34 143.17 46.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.433 ' CD1' HG23 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -160.82 142.39 12.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.972 179.891 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.461 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 94.2 mt-10 -84.73 117.77 24.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.433 HG23 ' CD1' ' A' ' 20' ' ' LEU . 69.2 t -108.92 142.41 21.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.072 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.2 t -88.53 116.45 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -53.46 118.69 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.405 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 10.5 mmmt -51.89 -58.24 7.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -32.58 67.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -128.61 93.33 38.08 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.648 0.737 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -4.13 13.43 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.569 ' HG2' ' CD1' ' A' ' 30' ' ' PHE . 1.2 pmm? -107.81 16.69 23.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.569 ' CD1' ' HG2' ' A' ' 29' ' ' MET . 34.8 m-85 -134.95 112.01 10.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.532 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 44.4 mt -112.24 131.28 64.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.434 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 62.5 mtt85 -130.29 165.91 21.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 24.8 t -70.09 141.01 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -127.41 163.72 23.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.4 m -137.63 109.97 7.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.6 t -58.96 102.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.55 -50.29 8.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -138.1 130.13 28.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.834 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.3 p -99.74 109.97 22.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.551 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 9.2 t0 -76.95 -175.03 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.578 ' OD1' ' CD2' ' A' ' 42' ' ' HIS . 1.0 OUTLIER -49.33 -58.17 5.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.578 ' CD2' ' OD1' ' A' ' 41' ' ' ASP . 8.1 m-70 -125.26 -5.94 7.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 40' ' ' ASP . 52.4 mtt180 -112.38 166.88 10.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.8 m -147.21 124.64 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -68.13 121.02 15.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 m -107.84 115.29 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -102.71 130.38 49.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.434 ' CE2' ' HB2' ' A' ' 32' ' ' ARG . 3.4 m-85 -84.66 105.86 15.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -39.9 122.2 1.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.4 -63.27 1.17 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -49.0 140.93 8.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.763 0.316 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -45.88 149.23 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 2.2 t-20 -57.83 -33.98 69.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.4 t -51.05 -55.08 19.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -39.75 -44.44 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 2.2 m-20 -41.72 156.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -161.53 150.28 15.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.551 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 50.0 m95 -75.26 107.65 7.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 16.6 tt -111.95 146.63 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.118 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.456 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 12.2 m-20 -69.23 125.34 26.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.417 ' O ' ' CE1' ' A' ' 14' ' ' PHE . . . -62.59 -12.81 25.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -102.59 2.82 36.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.2 t -67.45 141.9 95.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.66 0.743 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -28.03 25.49 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.358 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.04 -36.16 80.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.456 ' CD1' ' O ' ' A' ' 60' ' ' ASP . 97.0 mt -64.0 122.34 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 97.1 m-70 -123.96 142.99 41.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.553 0.692 . . . . 0.0 110.894 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.77 59.25 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.329 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.0 t -59.17 103.89 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.86 5.42 6.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.543 ' CH2' ' HB2' ' A' ' 77' ' ' HIS . 1.5 t90 -66.86 -16.19 64.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.755 0.312 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 21.3 p -61.88 -30.22 70.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 74' ' ' LYS . 21.3 m -83.96 -53.73 5.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 73' ' ' SER . 39.0 mtmt -35.2 -67.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.446 HG22 ' CE2' ' A' ' 71' ' ' TRP . 43.7 p -74.58 -42.76 58.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.51 30.66 3.72 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.543 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 5.0 m80 -102.13 144.62 28.95 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.639 0.733 . . . . 0.0 110.815 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 136.38 32.89 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.723 2.282 . . . . 0.0 112.33 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.1 tp -99.94 146.21 26.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -107.92 127.65 27.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.639 0.733 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 164.29 35.09 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.357 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -171.41 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.713 2.275 . . . . 0.0 112.369 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.7 mt -60.79 -178.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.0 m -86.92 155.98 55.36 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.748 0.785 . . . . 0.0 110.834 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -1.67 8.88 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -121.19 -3.75 9.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.976 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -110.09 -37.88 5.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.8 pp -67.82 -17.23 64.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 13.8 ptp -42.52 144.87 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 91' ' ' ALA . 6.1 pm0 -150.84 145.76 25.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 90' ' ' GLU . . . 35.57 40.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.055 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 t -97.45 127.67 43.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -162.36 111.05 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -93.81 146.84 23.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 68.06 95.03 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -92.26 -57.51 1.46 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 22.0 p -54.6 156.89 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.88 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.2 p -94.69 166.75 11.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.793 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.2 m -62.47 125.89 86.93 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.531 0.682 . . . . 0.0 111.108 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 0.03 6.23 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.73 2.286 . . . . 0.0 112.334 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.59 -151.04 3.7 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.9 m -117.71 159.14 23.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.96 0.41 . . . . 0.0 110.874 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -161.09 150.67 20.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.514 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 123.56 10.2 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.71 2.274 . . . . 0.0 112.3 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 85.0 p -162.01 172.07 16.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.5 t 69.92 42.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.528 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.9 m -63.29 143.89 57.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 0.0 110.868 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 m -156.59 140.62 16.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.877 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.46 43.04 1.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.465 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 m -134.2 157.53 46.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.359 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -151.35 150.99 31.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 44.58 84.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.46 HG22 ' N ' ' A' ' 9' ' ' LYS . 6.8 p -173.43 137.62 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.895 0.378 . . . . 0.0 111.155 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.46 ' N ' HG22 ' A' ' 8' ' ' VAL . 8.8 mtmp? -108.68 143.68 28.02 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.619 0.723 . . . . 0.0 110.889 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 155.48 65.88 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -38.77 7.32 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.708 2.272 . . . . 0.0 112.309 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.616 ' CE1' ' CG1' ' A' ' 44' ' ' VAL . 8.5 p80 -165.67 -175.03 3.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.468 ' C ' ' CD1' ' A' ' 14' ' ' PHE . . . -104.25 56.98 0.55 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.488 ' CE1' ' O ' ' A' ' 61' ' ' ALA . 21.1 m-85 -144.95 155.6 43.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -132.05 172.69 12.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -94.98 149.61 21.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt 69.33 27.83 4.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -115.0 -176.88 3.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 44.2 mmtm -122.01 150.23 42.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.66 141.07 5.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 67' ' ' HIS . 75.8 mt-10 -81.72 117.67 22.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.456 HG11 ' N ' ' A' ' 23' ' ' VAL . 41.3 t -112.71 144.02 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.466 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 90.4 t -85.53 128.16 39.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 27' ' ' ASN . 12.4 t0 -67.58 113.1 5.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 7.9 mmmt -45.4 -55.47 6.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.496 ' CZ ' ' HB3' ' A' ' 26' ' ' ARG . 0.2 OUTLIER -63.52 -29.19 70.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 24' ' ' ASP . 28.8 m-20 -131.66 90.82 35.68 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.656 0.741 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.466 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.7 Cg_endo -69.75 -20.23 35.15 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.633 2.222 . . . . 0.0 112.342 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.9 ptp -89.2 14.84 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -135.98 129.32 31.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.584 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 53.5 mt -127.11 134.61 65.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.153 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.7 mtt-85 -130.5 -176.03 3.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 34' ' ' ALA . 96.6 t -85.82 143.39 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.471 ' N ' HG13 ' A' ' 33' ' ' VAL . . . -132.52 145.09 50.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.3 m -116.82 113.57 22.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.8 t -60.47 102.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.96 -48.06 15.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -137.26 138.94 40.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.467 HG22 ' CG1' ' A' ' 44' ' ' VAL . 1.7 p -109.72 109.44 20.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.558 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 12.3 t0 -76.29 -174.69 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.1 -36.82 72.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.441 ' CD2' ' N ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -134.17 11.92 3.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.827 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' ASP . 11.9 mtt85 -146.18 172.02 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.616 ' CG1' ' CE1' ' A' ' 12' ' ' HIS . 28.0 m -150.22 117.77 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -63.66 114.58 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.411 HG23 ' CG2' ' A' ' 59' ' ' ILE . 12.5 m -100.54 119.7 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.131 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 37.9 t60 -106.01 140.41 39.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.568 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 4.5 m-85 -95.57 105.0 16.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -43.46 124.83 3.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.75 -40.64 2.59 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.568 ' CD1' ' HB3' ' A' ' 48' ' ' PHE . 25.7 m95 -64.01 139.21 58.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -42.56 162.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -83.99 42.14 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 96.2 m -127.15 -45.58 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 56' ' ' ASP . 98.1 m-85 -50.04 -41.15 47.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -34.69 130.19 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -144.1 156.01 44.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.558 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 52.3 m95 -80.51 104.97 11.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.414 HD13 ' NZ ' ' A' ' 25' ' ' LYS . 17.1 tt -105.83 144.4 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.097 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.459 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 3.9 m-20 -66.54 124.29 22.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.488 ' O ' ' CE1' ' A' ' 14' ' ' PHE . . . -58.19 -29.29 65.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -93.63 16.73 13.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.2 t -72.53 142.03 83.49 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.647 0.737 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -27.68 26.14 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.644 2.229 . . . . 0.0 112.31 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.488 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 1.8 m-20 -68.75 -33.34 73.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.459 ' CD1' ' O ' ' A' ' 60' ' ' ASP . 77.3 mt -63.56 125.51 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.513 ' HB3' ' CG ' ' A' ' 71' ' ' TRP . 92.2 m-70 -129.0 143.5 49.01 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.554 0.692 . . . . 0.0 110.897 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 152.62 69.15 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.2 t -45.03 -28.45 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.02 43.4 1.94 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.584 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 87.1 t90 -95.06 -53.86 3.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.735 0.302 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.4 p -39.41 -38.8 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 74' ' ' LYS . 22.9 t -76.44 -61.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 73' ' ' SER . 26.7 mtpt -38.24 -49.88 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.2 p -87.86 -47.51 8.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.48 34.35 3.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 6.5 m80 -101.65 150.12 37.03 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.612 0.72 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 134.99 29.43 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.404 HD11 ' CD ' ' A' ' 21' ' ' GLU . 22.5 tp -107.82 139.93 41.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -100.36 128.23 30.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 152.59 69.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.26 . . . . 0.0 112.402 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 178.87 4.16 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.325 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.26 160.83 9.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.0 m -45.75 155.38 0.49 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.704 0.764 . . . . 0.0 110.811 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -2.48 10.22 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.701 2.267 . . . . 0.0 112.362 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.17 -29.34 8.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -56.77 -33.58 66.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -92.06 19.03 7.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.2 mmt -51.69 159.25 0.81 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -168.6 124.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -99.64 147.31 25.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.3 p -118.7 -52.1 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 55.79 49.74 15.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 -70.24 146.44 50.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.13 69.35 1.93 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -128.63 -178.53 15.41 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.474 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 31.8 p -145.01 170.15 16.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.852 0.358 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.0 p -136.19 167.15 21.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 100' ' ' PRO . 26.0 m -144.67 137.06 13.34 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.614 0.721 . . . . 0.0 111.148 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 99' ' ' THR . 54.2 Cg_endo -69.68 174.78 8.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.713 2.275 . . . . 0.0 112.352 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -173.55 158.83 28.37 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.457 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.0 p -140.69 156.22 46.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.937 0.399 . . . . 0.0 110.838 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -75.29 157.5 49.8 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.514 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 105' ' ' SER . 53.5 Cg_endo -69.77 2.47 3.5 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.701 2.268 . . . . 0.0 112.352 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 104' ' ' PRO . 1.4 t -35.22 -43.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 67.5 m -99.68 93.01 5.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.855 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.496 -179.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.2 m -91.99 119.72 31.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.864 0.364 . . . . 0.0 110.829 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 m -64.1 177.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.04 -138.49 3.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -155.35 171.88 19.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -103.58 155.99 18.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.69 115.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.4 p -169.63 146.81 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.927 0.394 . . . . 0.0 111.11 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -85.05 143.99 40.71 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.592 0.71 . . . . 0.0 110.857 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 128.35 15.86 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.34 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.72 -37.91 8.61 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.337 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.431 ' CE1' ' CG1' ' A' ' 44' ' ' VAL . 10.7 p80 -160.04 -174.98 4.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.23 56.67 0.48 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.506 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -132.48 156.95 45.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.36 . . . . 0.0 110.897 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -136.05 161.98 34.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -83.44 148.69 27.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.8 mttt 64.91 34.38 9.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 10.9 ptt? -117.3 -179.03 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 32.4 mmtm -121.6 140.5 52.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.413 HD11 ' C ' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -157.25 141.93 16.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.452 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 88.0 mt-10 -81.83 122.2 27.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.7 t -114.99 141.88 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.433 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 78.0 t -84.99 116.01 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' ASN . 13.4 t0 -52.75 109.06 0.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 1.4 mmmm -42.08 -58.09 2.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -60.44 -33.73 72.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 24' ' ' ASP . 17.1 m-80 -124.17 92.16 48.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.655 0.741 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.433 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.7 Cg_endo -69.7 -15.34 37.25 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.564 ' HG3' ' CD1' ' A' ' 30' ' ' PHE . 18.5 ptp -95.51 14.15 23.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.564 ' CD1' ' HG3' ' A' ' 29' ' ' MET . 44.0 m-85 -135.03 130.38 35.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.529 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 36.6 mt -127.55 141.2 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 -142.26 164.12 31.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 91.6 t -67.82 145.54 13.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -131.31 170.03 15.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.06 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.6 m -138.38 116.27 11.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.3 t -67.55 103.19 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.08 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.87 -35.4 32.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -150.85 140.45 21.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.3 p -107.34 109.35 21.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.556 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 16.2 t70 -83.13 176.45 9.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -42.1 -66.24 0.37 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -123.59 27.95 7.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 40' ' ' ASP . 15.4 mtt85 -146.08 165.55 28.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.431 ' CG1' ' CE1' ' A' ' 12' ' ' HIS . 27.1 m -146.01 119.05 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.415 ' NZ ' ' CD1' ' A' ' 58' ' ' TRP . 13.2 tttp -64.9 112.18 3.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.2 m -99.84 114.08 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.131 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -103.9 127.75 51.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -81.77 103.77 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -38.98 124.17 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.93 -49.89 1.75 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 21.1 m95 -59.72 142.96 52.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.774 0.321 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -46.59 154.68 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -64.51 -34.12 77.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' TYR . 10.0 t -52.85 -56.76 13.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 56' ' ' ASP . 11.6 m-85 -37.75 -48.78 1.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 1.0 OUTLIER -35.38 149.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -156.77 152.65 27.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.556 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 54.8 m95 -79.24 105.13 10.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.976 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 15.8 tt -108.21 140.2 27.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.162 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.8 121.38 14.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.12 -18.25 14.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -95.28 -12.97 25.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.815 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.2 t -48.08 135.78 11.55 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.88 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -11.44 30.86 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.332 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.49 -25.94 35.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 86.0 mt -74.65 129.78 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.456 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 95.7 m-70 -129.07 141.64 42.45 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.541 0.686 . . . . 0.0 110.896 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 165.05 32.3 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.685 2.257 . . . . 0.0 112.32 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.9 t -64.91 100.88 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 125.49 14.71 3.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.541 ' CD2' ' O ' ' A' ' 71' ' ' TRP . 0.9 OUTLIER -77.16 -12.03 59.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.752 0.31 . . . . 0.0 110.925 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.1 p -65.68 -29.5 70.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 74' ' ' LYS . 68.5 m -80.41 -51.29 9.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 73' ' ' SER . 41.0 mtpt -34.71 -66.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.8 p -81.78 -45.12 16.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 111.64 34.25 2.1 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.483 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 3.1 m80 -97.57 143.64 26.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.641 0.734 . . . . 0.0 110.811 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 133.25 25.1 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.2 tp -99.46 138.01 37.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -101.72 125.34 37.52 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 149.37 66.62 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.376 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -174.97 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.324 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.53 163.31 1.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.6 m -52.97 158.73 2.16 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.632 0.729 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.511 ' C ' ' CD2' ' A' ' 88' ' ' LEU . 54.4 Cg_endo -69.75 1.18 4.66 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.382 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.63 -38.06 5.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -48.23 -46.82 35.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.511 ' CD2' ' C ' ' A' ' 85' ' ' PRO . 2.4 pt? -56.09 -40.23 73.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.457 ' N ' ' HG ' ' A' ' 88' ' ' LEU . 13.0 mtp -63.76 129.5 40.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -97.29 151.31 20.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -98.43 114.99 27.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 83.3 p -167.28 160.9 13.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -83.04 145.3 29.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -108.13 -57.69 2.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 122.88 -144.51 15.83 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.517 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -91.2 141.02 15.5 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.476 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 t -137.67 152.37 49.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.803 0.335 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.0 t -40.12 120.34 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.0 t -130.43 141.91 43.59 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.602 0.715 . . . . 0.0 111.116 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' GLY . 53.7 Cg_endo -69.71 2.57 3.39 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.713 2.276 . . . . 0.0 112.354 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 100' ' ' PRO . . . -34.99 -40.4 0.21 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.456 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 101' ' ' GLY . 18.9 p 36.52 53.37 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.941 0.401 . . . . 0.0 110.829 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.461 ' N ' ' HD2' ' A' ' 104' ' ' PRO . . . -69.15 -59.73 5.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.461 ' HD2' ' N ' ' A' ' 103' ' ' GLY . 53.7 Cg_endo -69.78 -176.58 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.65 2.234 . . . . 0.0 112.351 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 104' ' ' PRO . 66.5 m -34.73 118.09 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.7 p -170.81 148.82 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.831 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.457 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.465 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 13.2 m-85 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -129.68 169.3 15.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.6 ' HG3' HG23 ' A' ' 39' ' ' THR . 14.9 mtmt -97.18 157.26 16.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt 64.79 27.41 12.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.464 ' CE ' HG21 ' A' ' 36' ' ' VAL . 12.7 ptt? -116.06 -176.77 3.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.479 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 42.4 mmtm -120.27 152.27 38.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.871 HD11 HG22 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -167.48 143.33 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -82.54 116.12 21.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.871 HG22 HD11 ' A' ' 20' ' ' LEU . 48.1 t -109.33 141.27 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.603 HG22 HG12 ' A' ' 31' ' ' ILE . 79.3 t -86.2 117.94 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.534 ' OD2' ' ND2' ' A' ' 27' ' ' ASN . 10.3 t0 -51.58 110.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 12.1 mmmt -44.45 -58.16 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.42 ' CD ' ' H ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -58.57 -29.23 66.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.534 ' ND2' ' OD2' ' A' ' 24' ' ' ASP . 5.7 m-20 -129.66 93.47 34.75 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.63 0.728 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.47 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.6 Cg_endo -69.84 -6.5 18.77 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.316 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 21.9 mmt -103.68 11.56 35.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -132.42 133.95 44.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.603 HG12 HG22 ' A' ' 23' ' ' VAL . 25.6 mt -129.0 143.65 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 45.0 mtt-85 -143.84 167.79 21.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.479 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 74.4 t -68.27 152.14 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -140.49 166.32 25.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.2 m -135.52 113.24 10.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.464 HG21 ' CE ' ' A' ' 18' ' ' MET . 21.5 t -64.69 103.26 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.88 -51.96 8.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -138.96 134.36 33.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.6 HG23 ' HG3' ' A' ' 16' ' ' LYS . 72.8 p -105.98 112.56 25.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.408 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 10.4 t0 -83.28 -178.39 7.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -47.26 -57.1 5.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -130.98 30.56 4.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -147.93 172.58 13.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.523 HG13 ' HB2' ' A' ' 61' ' ' ALA . 35.3 m -155.68 122.4 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -70.03 102.99 2.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.6 m -87.33 116.34 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -104.18 121.07 42.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -79.29 106.83 11.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -39.33 116.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.85 -65.44 0.61 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 53.1 m95 . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.758 0.314 . . . . 0.0 110.89 -179.886 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.429 ' O ' ' C ' ' A' ' 56' ' ' ASP . 14.4 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.881 0.372 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 55' ' ' TYR . 15.5 m-20 -35.72 144.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -151.57 156.39 40.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.408 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 55.5 m95 -81.99 105.17 12.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.816 HG23 HD11 ' A' ' 66' ' ' ILE . 14.7 tt -108.89 143.05 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.548 ' O ' HD12 ' A' ' 66' ' ' ILE . 7.5 m-20 -66.68 123.96 21.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.523 ' HB2' HG13 ' A' ' 44' ' ' VAL . . . -61.85 -17.09 55.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -100.38 6.33 44.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.2 t -66.2 141.9 97.59 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.671 0.748 . . . . 0.0 110.824 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -21.77 32.79 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.15 -34.81 66.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.816 HD11 HG23 ' A' ' 59' ' ' ILE . 29.0 mt -65.73 127.48 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.481 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 97.9 m-70 -128.89 143.23 47.85 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.622 0.725 . . . . 0.0 110.889 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 163.02 39.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.245 . . . . 0.0 112.311 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.3 t -62.89 103.75 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.63 6.98 6.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.451 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.59 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 1.8 t90 -68.07 -12.64 61.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.745 0.307 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.2 p -67.46 -32.25 72.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.7 m -81.85 -50.9 8.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -39.68 -62.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.0 p -80.43 -32.99 37.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.79 31.34 7.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.404 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 6.7 m-70 -100.78 143.3 26.31 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.577 0.703 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 139.77 40.98 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.644 2.229 . . . . 0.0 112.346 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.7 tp -104.61 144.67 31.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -105.14 134.78 19.48 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.575 0.702 . . . . 0.0 110.943 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 151.08 68.88 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.64 2.227 . . . . 0.0 112.346 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.216 0 C-N-CA 122.676 2.251 . . . . 0.0 112.384 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.433 ' CE1' ' HB1' ' A' ' 61' ' ' ALA . 4.1 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.789 0.328 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -149.18 162.76 39.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -90.49 147.42 23.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt 70.12 25.22 4.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.478 ' CE ' HG21 ' A' ' 36' ' ' VAL . 11.0 ptt? -110.27 177.07 4.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.408 ' O ' HG23 ' A' ' 69' ' ' VAL . 30.6 mmtm -117.18 153.41 32.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.76 HD13 HG23 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -167.64 140.76 3.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.983 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 67' ' ' HIS . 95.1 mt-10 -81.44 117.56 21.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.714 HG22 HD11 ' A' ' 20' ' ' LEU . 93.7 t -110.55 142.12 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.659 HG22 HG12 ' A' ' 31' ' ' ILE . 93.4 t -86.51 118.64 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.175 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' ASN . 8.8 t0 -51.38 108.45 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 2.1 mmmm -42.1 -57.23 2.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -61.93 -33.89 75.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' ASP . 22.2 m-20 -121.85 91.59 48.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.588 0.709 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.417 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.7 Cg_endo -69.75 -7.98 22.43 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.646 2.231 . . . . 0.0 112.39 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.5 ptp -101.9 11.51 38.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -135.78 133.15 37.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.659 HG12 HG22 ' A' ' 23' ' ' VAL . 27.4 mt -127.26 144.25 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.4 mtt85 -141.65 162.16 36.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.84 146.56 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.409 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -132.68 164.1 27.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.4 m -130.76 114.62 15.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.478 HG21 ' CE ' ' A' ' 18' ' ' MET . 17.7 t -65.66 104.59 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.4 -39.3 17.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -147.88 137.5 22.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.0 p -111.58 111.49 22.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.535 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 6.5 t0 -81.9 -178.66 7.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -46.47 -56.11 6.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -131.94 28.87 4.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 40' ' ' ASP . 18.1 mtm180 -145.5 170.36 16.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 44' ' ' VAL . 34.0 m -154.05 122.9 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -70.66 107.19 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.475 HG12 HD21 ' A' ' 20' ' ' LEU . 10.7 m -93.23 113.03 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.455 ' CD2' ' C ' ' A' ' 47' ' ' HIS . 2.7 t60 -99.97 126.69 46.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.532 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 3.1 m-85 -82.23 102.49 11.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -37.83 130.99 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.27 -45.79 3.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.455 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.532 ' CD1' ' HB3' ' A' ' 48' ' ' PHE . 75.6 m95 . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.799 0.333 . . . . 0.0 110.921 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -44.27 161.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -163.94 149.27 10.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.535 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 44.3 m95 -76.84 106.54 8.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.649 HG23 HD11 ' A' ' 66' ' ' ILE . 16.8 tt -109.11 144.5 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.639 ' O ' HD12 ' A' ' 66' ' ' ILE . 6.2 m-20 -68.71 127.36 32.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.433 ' HB1' ' CE1' ' A' ' 14' ' ' PHE . . . -62.1 -20.8 64.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -93.83 -5.5 47.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.9 t -56.65 138.8 76.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.664 0.745 . . . . 0.0 110.868 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -24.31 29.83 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.657 2.238 . . . . 0.0 112.317 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.43 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -68.03 -31.23 70.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.76 HG23 HD13 ' A' ' 20' ' ' LEU . 62.3 mt -66.55 127.56 28.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.474 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 89.0 m-70 -129.04 140.2 37.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.54 0.686 . . . . 0.0 110.883 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 157.37 60.58 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.325 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 19' ' ' LYS . 95.5 t -58.34 102.85 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 122.83 12.72 4.83 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.597 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 0.6 OUTLIER -75.17 -22.83 57.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.749 0.309 . . . . 0.0 110.967 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.441 ' HA ' ' CE3' ' A' ' 71' ' ' TRP . 30.5 p -60.85 -31.65 71.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 75' ' ' THR . 74.9 m -83.55 -66.22 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.462 ' CD ' ' HA ' ' A' ' 71' ' ' TRP . 3.4 ptmm? -33.72 -34.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 73' ' ' SER . 44.6 p -99.87 -46.88 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 109.73 18.06 9.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.533 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 2.2 m80 -89.81 145.42 33.32 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.599 0.714 . . . . 0.0 110.844 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 136.78 33.83 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.7 tp -109.22 137.25 47.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -100.61 135.36 20.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.589 0.709 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 154.72 67.26 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.272 . . . . 0.0 112.337 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.202 0 C-N-CA 122.68 2.253 . . . . 0.0 112.363 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.529 ' CE2' HG21 ' A' ' 66' ' ' ILE . 9.4 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.801 0.334 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -128.22 172.18 11.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.492 ' HG3' HG23 ' A' ' 39' ' ' THR . 5.8 mtpm? -98.92 150.64 21.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt 69.84 26.57 4.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.5 ptt? -113.15 -177.0 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.46 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 33.0 mmtm -121.43 151.57 40.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.882 HD11 HG22 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -166.68 141.61 4.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 67' ' ' HIS . 65.1 mt-10 -81.53 112.55 18.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.882 HG22 HD11 ' A' ' 20' ' ' LEU . 61.2 t -105.33 152.79 7.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.594 HG22 HG12 ' A' ' 31' ' ' ILE . 93.5 t -98.69 117.76 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 27' ' ' ASN . 22.3 t0 -54.88 108.04 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 5.6 mmmt -41.99 -54.52 3.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -63.85 -29.06 70.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' ASP . 16.3 m-80 -129.64 92.04 38.9 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.645 0.736 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.497 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 54.3 Cg_endo -69.77 -18.72 36.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.578 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 11.5 ptp -92.74 15.42 14.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.578 ' CE1' ' HG3' ' A' ' 29' ' ' MET . 72.8 m-85 -136.04 124.52 23.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.723 ' O ' HD12 ' A' ' 79' ' ' LEU . 56.6 mt -125.41 133.22 69.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -132.23 174.21 10.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.46 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 85.4 t -75.41 142.49 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -127.21 166.02 18.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.1 m -137.15 108.92 7.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.125 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 t -62.98 102.58 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.0 -48.68 13.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -139.25 142.89 37.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.63 HG22 HG12 ' A' ' 44' ' ' VAL . 44.0 p -114.15 119.96 38.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.429 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 3.0 t70 -93.1 -176.77 4.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.464 ' HB3' ' CE1' ' A' ' 42' ' ' HIS . 7.4 m-20 -47.62 -57.44 5.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.464 ' CE1' ' HB3' ' A' ' 41' ' ' ASP . 1.0 OUTLIER -131.59 32.62 4.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.478 ' O ' HG13 ' A' ' 44' ' ' VAL . 26.7 mtm180 -147.75 173.2 13.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.63 HG12 HG22 ' A' ' 39' ' ' THR . 29.2 m -158.94 117.49 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -66.78 106.79 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.1 m -93.4 119.63 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.407 ' CD2' ' C ' ' A' ' 47' ' ' HIS . 4.8 t60 -106.08 117.9 35.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -76.09 107.17 8.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -44.01 128.79 5.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.66 -43.32 2.88 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 10.9 m0 . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.737 0.303 . . . . 0.0 110.958 -179.933 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.415 ' O ' ' C ' ' A' ' 56' ' ' ASP . 57.6 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.889 0.376 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 55' ' ' TYR . 4.6 m-20 -37.12 139.82 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -152.2 152.49 32.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.429 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 46.4 m95 -77.07 106.48 8.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.772 HG23 HD11 ' A' ' 66' ' ' ILE . 17.2 tt -109.46 141.28 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.705 ' O ' HD12 ' A' ' 66' ' ' ILE . 62.0 m-20 -61.72 129.0 38.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.517 ' O ' ' CE1' ' A' ' 14' ' ' PHE . . . -63.77 -23.01 67.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.081 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -100.95 18.36 19.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 t -74.18 141.97 78.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.672 0.749 . . . . 0.0 110.859 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 -21.32 34.16 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.391 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.03 -34.49 64.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.864 HG23 HD13 ' A' ' 20' ' ' LEU . 81.5 mt -66.91 126.72 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 21' ' ' GLU . 95.5 m-70 -129.03 143.23 47.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.552 0.691 . . . . 0.0 110.882 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 161.9 44.14 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.716 2.278 . . . . 0.0 112.361 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.0 t -61.97 102.72 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.32 11.29 4.71 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.578 ' CZ3' ' HB2' ' A' ' 77' ' ' HIS . 1.6 t90 -71.5 -14.29 62.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.713 0.292 . . . . 0.0 110.875 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 31.6 p -67.22 -34.25 77.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.7 t -77.03 -47.8 19.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -43.56 -68.62 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.9 p -74.12 -50.97 17.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.28 35.12 1.51 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 4.5 m80 -101.47 143.63 26.97 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.585 0.707 . . . . 0.0 110.825 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 136.52 33.25 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.723 HD12 ' O ' ' A' ' 31' ' ' ILE . 18.6 tp -104.89 144.67 31.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -107.48 130.8 22.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.64 0.733 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 153.5 69.18 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.688 2.259 . . . . 0.0 112.418 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.173 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.946 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.725 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 26.3 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.775 0.322 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -117.14 167.85 10.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.64 ' HG3' HG23 ' A' ' 39' ' ' THR . 5.7 mtpm? -97.46 152.72 18.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt 69.55 25.51 5.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.412 ' CE ' HG21 ' A' ' 36' ' ' VAL . 19.1 ptt? -111.75 -179.83 3.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.592 ' O ' HG23 ' A' ' 69' ' ' VAL . 44.2 mmtt -118.75 142.08 48.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.858 HD11 HG22 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -158.21 140.93 14.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 67' ' ' HIS . 91.1 mt-10 -81.33 115.27 20.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.858 HG22 HD11 ' A' ' 20' ' ' LEU . 58.1 t -108.23 140.23 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.475 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 85.6 t -82.0 117.59 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -53.34 118.04 3.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 13.9 mmmt -53.71 -51.98 61.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.474 ' HD2' ' N ' ' A' ' 26' ' ' ARG . 8.7 mmm-85 -60.09 -36.27 77.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -132.04 94.44 24.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.621 0.724 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.475 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 54.1 Cg_endo -69.72 -5.14 15.46 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.727 2.285 . . . . 0.0 112.354 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -96.72 9.12 42.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -133.18 135.94 45.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.693 HD13 ' CZ3' ' A' ' 71' ' ' TRP . 23.8 mt -129.2 135.43 61.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.097 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -133.14 -179.93 5.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.8 t -84.24 142.27 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 20' ' ' LEU . . . -125.46 174.05 8.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.9 m -145.79 109.54 4.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.412 HG21 ' CE ' ' A' ' 18' ' ' MET . 33.0 t -59.75 108.91 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.02 -42.7 12.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -147.59 131.11 16.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.64 HG23 ' HG3' ' A' ' 16' ' ' LYS . 69.9 p -104.47 114.44 28.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.483 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 6.3 t70 -87.94 -175.85 5.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -45.99 -64.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -125.75 33.63 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -150.14 169.1 22.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 44' ' ' VAL . 34.3 m -155.57 124.19 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 tttt -69.65 109.86 4.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.451 HG12 HD21 ' A' ' 20' ' ' LEU . 15.1 m -98.1 113.33 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.087 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -99.9 133.83 43.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.427 ' CZ ' ' HB ' ' A' ' 22' ' ' VAL . 4.7 m-85 -91.38 101.01 13.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -41.02 124.58 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.31 -59.14 0.57 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.511 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 62.4 m95 . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.758 0.313 . . . . 0.0 110.96 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.448 ' O ' ' C ' ' A' ' 56' ' ' ASP . 12.3 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.899 0.38 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 55' ' ' TYR . 13.5 m-20 -34.3 147.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -156.87 145.17 19.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.483 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 60.1 m95 -75.56 104.99 6.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.811 HG23 HD11 ' A' ' 66' ' ' ILE . 16.1 tt -105.26 147.38 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.732 ' O ' HD12 ' A' ' 66' ' ' ILE . 55.5 m-20 -70.31 122.04 18.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.838 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.725 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -57.34 -23.57 49.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -96.27 12.04 32.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.3 t -71.47 142.39 86.5 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.68 0.752 . . . . 0.0 110.832 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -22.39 32.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.37 -35.02 63.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.811 HD11 HG23 ' A' ' 59' ' ' ILE . 53.1 mt -62.23 119.85 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 21' ' ' GLU . 31.2 m80 -124.03 143.64 42.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.554 0.692 . . . . 0.0 110.871 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 164.38 34.81 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.331 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 19' ' ' LYS . 18.5 t -55.72 -23.38 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -101.49 42.05 2.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.706 ' NE1' HG21 ' A' ' 75' ' ' THR . 84.1 t90 -94.1 -43.4 8.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.338 . . . . 0.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.6 p -53.06 -37.52 61.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.3 m -78.5 -52.29 8.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -49.97 -59.72 3.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.706 HG21 ' NE1' ' A' ' 71' ' ' TRP . 1.5 p -78.59 -23.06 46.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.35 30.75 48.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.475 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.587 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 4.7 m80 -96.94 149.96 36.31 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.601 0.715 . . . . 0.0 110.837 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 143.99 52.74 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 31' ' ' ILE . 24.3 tp -115.7 151.76 34.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -115.17 134.32 22.56 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.596 0.712 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 150.54 68.17 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.342 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.214 0 C-N-CA 122.691 2.261 . . . . 0.0 112.329 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.834 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 54.2 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.846 0.355 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -116.51 171.62 7.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.572 ' HG3' HG23 ' A' ' 39' ' ' THR . 6.6 mtpm? -100.47 162.36 12.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.2 mtpt 60.6 25.92 15.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 18.3 ptt? -114.26 -175.86 2.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.415 ' C ' HG23 ' A' ' 69' ' ' VAL . 32.2 mmtm -119.65 148.26 43.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.681 HD11 ' CG2' ' A' ' 22' ' ' VAL . 0.4 OUTLIER -163.42 145.48 9.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 67' ' ' HIS . 68.0 mt-10 -85.61 119.39 25.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.681 ' CG2' HD11 ' A' ' 20' ' ' LEU . 70.7 t -113.74 137.06 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.0 t -80.31 122.2 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' ASN . 17.2 t0 -64.79 116.46 6.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 4.5 mmmt -48.05 -58.92 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -57.95 -32.91 68.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.42 ' HA ' ' HD2' ' A' ' 28' ' ' PRO . 34.5 m120 -129.53 91.29 41.46 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.629 0.728 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 27' ' ' ASN . 53.7 Cg_endo -69.71 -21.08 34.22 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.9 mtt -88.76 14.17 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -134.14 125.59 28.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.509 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 46.3 mt -123.57 136.01 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -133.2 -179.65 5.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.2 t -84.92 145.43 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.122 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.463 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -130.73 159.38 37.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.0 m -126.73 108.55 11.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.7 t -59.45 105.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.85 -47.75 12.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -142.24 136.14 29.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.572 HG23 ' HG3' ' A' ' 16' ' ' LYS . 58.7 p -107.57 110.83 22.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.416 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 11.6 t0 -81.41 -175.51 5.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -50.24 -57.11 8.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -130.52 28.16 4.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.8 mtm-85 -145.32 168.9 19.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 44' ' ' VAL . 35.2 m -153.05 121.45 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -69.05 108.71 3.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.48 HG12 HD21 ' A' ' 20' ' ' LEU . 16.2 m -95.82 115.51 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.136 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.452 ' CD2' ' C ' ' A' ' 47' ' ' HIS . 3.0 t60 -103.0 132.26 49.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -87.18 103.12 15.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -44.74 106.87 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.42 -45.02 1.31 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 10.9 m0 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.766 0.317 . . . . 0.0 110.943 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.896 0.379 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.06 157.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -159.9 159.69 32.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.416 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 44.4 m95 -83.37 105.82 14.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.735 HG23 HD11 ' A' ' 66' ' ' ILE . 15.8 tt -109.17 142.38 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.607 ' O ' HD12 ' A' ' 66' ' ' ILE . 7.6 m-20 -69.04 125.44 26.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.834 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -57.82 -27.6 63.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.062 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -88.61 1.9 54.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.8 t -61.71 141.0 95.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.699 0.762 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -26.93 26.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.706 2.271 . . . . 0.0 112.311 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.77 -30.0 67.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.836 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.735 HD11 HG23 ' A' ' 59' ' ' ILE . 27.5 mt -65.67 122.93 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 21' ' ' GLU . 27.1 m80 -128.95 143.82 50.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.581 0.705 . . . . 0.0 110.843 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 158.91 55.3 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.701 2.267 . . . . 0.0 112.322 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.415 HG23 ' C ' ' A' ' 19' ' ' LYS . 15.5 t -51.34 -22.5 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -102.73 42.93 1.78 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.498 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.526 ' CZ3' ' HB2' ' A' ' 77' ' ' HIS . 88.3 t90 -93.81 -50.51 5.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.32 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.1 p -41.35 -36.85 0.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 74' ' ' LYS . 4.9 p -74.92 -62.85 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 73' ' ' SER . 5.9 mtpm? -34.72 -62.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.7 p -75.99 -47.73 23.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.19 29.44 4.27 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.526 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 3.8 m80 -97.82 146.39 31.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.596 0.712 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 135.63 31.01 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.718 2.278 . . . . 0.0 112.349 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.468 HD12 ' O ' ' A' ' 31' ' ' ILE . 32.9 tp -100.14 144.53 29.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -106.32 126.88 29.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.555 0.693 . . . . 0.0 110.949 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 149.29 66.88 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.309 179.925 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.445 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 8.8 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.833 0.349 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.429 ' HG3' ' C ' ' A' ' 14' ' ' PHE . 61.5 mt-30 -148.3 162.5 39.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -89.95 152.91 20.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.0 mttt 66.79 25.16 9.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.9 ptt? -113.01 172.28 7.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -111.08 153.66 25.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.797 HD11 HG22 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -170.41 142.03 2.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.955 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.454 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 78.3 mt-10 -81.22 117.17 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.797 HG22 HD11 ' A' ' 20' ' ' LEU . 85.8 t -111.63 135.09 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.17 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.55 HG22 HG12 ' A' ' 31' ' ' ILE . 92.1 t -78.78 122.8 34.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 27' ' ' ASN . 5.8 t70 -57.43 109.25 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 1.6 mmmm -42.15 -57.78 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -62.37 -29.59 70.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' ASP . 28.4 m-20 -126.3 92.48 45.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.622 0.725 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.417 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 54.5 Cg_endo -69.66 -18.02 37.69 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.728 2.285 . . . . 0.0 112.405 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 55.8 mtm -94.19 14.98 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -135.47 132.77 37.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.55 HG12 HG22 ' A' ' 23' ' ' VAL . 47.0 mt -128.39 141.67 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -142.71 161.63 37.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.5 t -66.09 147.95 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.406 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -133.31 163.38 29.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.1 m -130.86 106.4 8.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.5 t -60.15 103.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.113 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.21 -53.53 6.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -134.88 130.31 35.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.483 HG22 HG12 ' A' ' 44' ' ' VAL . 14.7 p -100.68 113.72 26.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.548 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 12.9 t0 -76.57 -174.82 3.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.0 -37.36 75.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -132.78 10.48 4.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.2 mtt85 -143.92 179.33 7.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.483 HG12 HG22 ' A' ' 39' ' ' THR . 31.0 m -156.95 120.61 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.4 tttm -66.1 120.14 12.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.2 m -103.79 116.24 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -107.87 115.01 29.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.419 ' O ' ' C ' ' A' ' 49' ' ' ASP . 3.9 m-85 -73.49 105.06 4.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 48' ' ' PHE . 26.1 t0 -35.51 122.56 0.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 51' ' ' TRP . . . 93.24 -62.9 2.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.544 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.416 ' C ' ' O ' ' A' ' 50' ' ' GLY . 33.9 m95 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.754 0.311 . . . . 0.0 110.936 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.423 ' O ' ' C ' ' A' ' 56' ' ' ASP . 50.7 m-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.87 0.367 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 55' ' ' TYR . 2.7 m-20 -36.77 147.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -156.67 148.63 22.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.548 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 55.7 m95 -77.46 105.25 8.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.622 HG23 HD11 ' A' ' 66' ' ' ILE . 16.0 tt -106.62 141.41 21.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.607 ' O ' HD12 ' A' ' 66' ' ' ILE . 30.7 m-20 -62.49 131.48 49.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.445 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -65.51 -23.78 66.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -100.69 23.53 10.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.5 t -80.1 141.33 54.15 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.666 0.746 . . . . 0.0 110.84 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -22.06 32.53 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 0.0 112.384 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.529 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.6 m-20 -73.3 -32.78 64.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.656 HG23 HD13 ' A' ' 20' ' ' LEU . 72.2 mt -66.35 128.16 28.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -128.73 143.62 49.22 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.592 0.711 . . . . 0.0 110.848 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 162.12 43.3 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.704 2.27 . . . . 0.0 112.366 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.565 ' O ' HG12 ' A' ' 69' ' ' VAL . 19.8 t -64.75 91.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 132.2 23.9 0.81 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.588 ' CZ3' ' HB2' ' A' ' 77' ' ' HIS . 1.2 t90 -84.4 -10.4 57.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.754 0.312 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.3 p -77.67 -24.49 49.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 74' ' ' LYS . 5.6 t -86.68 -56.68 3.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.547 ' HD3' ' CD1' ' A' ' 71' ' ' TRP . 16.2 ptmt -34.22 -37.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.457 HG22 ' CG ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -113.34 -44.36 3.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 109.6 37.01 1.97 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.588 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 8.4 m80 -91.6 153.26 43.99 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.606 0.717 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 149.2 66.61 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.382 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 31' ' ' ILE . 15.8 tp -133.47 136.29 45.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -104.06 128.05 27.98 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.559 0.695 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 155.52 65.71 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.372 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.159 0 C-N-CA 122.713 2.275 . . . . 0.0 112.285 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.602 ' CE1' ' HB1' ' A' ' 61' ' ' ALA . 7.1 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.835 0.35 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -118.65 157.67 26.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -85.44 148.38 26.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt 69.84 26.61 4.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.463 ' HE2' HG21 ' A' ' 36' ' ' VAL . 12.3 ptt? -109.95 174.72 5.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.463 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 18.0 mmtp -114.77 148.83 37.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.861 HD11 HG22 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -163.5 141.99 7.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.415 ' OE2' HD13 ' A' ' 79' ' ' LEU . 82.5 mt-10 -81.38 114.53 20.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.861 HG22 HD11 ' A' ' 20' ' ' LEU . 59.3 t -108.43 140.46 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.51 HG22 HG12 ' A' ' 31' ' ' ILE . 86.9 t -85.81 115.12 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 27' ' ' ASN . 13.0 t0 -52.81 109.14 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.481 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 1.4 mmmm -42.12 -58.77 2.0 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -60.54 -32.05 71.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 24' ' ' ASP . 3.1 m-20 -126.11 91.36 48.18 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.593 0.711 . . . . 0.0 110.838 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.487 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 54.0 Cg_endo -69.77 -18.7 36.79 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.713 2.275 . . . . 0.0 112.342 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.5 mtm -93.09 14.59 17.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -135.49 120.77 19.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.574 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 41.6 mt -121.52 139.52 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.5 mtt-85 -138.35 177.59 7.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.463 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 99.0 t -80.74 138.75 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.403 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -123.55 166.92 14.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.6 m -133.55 114.14 13.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.463 HG21 ' HE2' ' A' ' 18' ' ' MET . 22.0 t -63.97 102.62 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.16 -44.72 13.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.043 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -136.49 141.53 43.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.8 p -117.0 109.82 17.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.437 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 5.9 t0 -85.5 -175.88 5.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -51.26 -64.91 0.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -120.87 26.38 9.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.6 mtt85 -146.7 169.64 18.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 44' ' ' VAL . 33.7 m -154.93 123.28 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -68.33 112.89 5.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.481 HG12 HD21 ' A' ' 20' ' ' LEU . 14.5 m -97.71 116.97 41.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.082 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -108.42 124.09 49.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.53 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 3.8 m-85 -75.27 100.22 4.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' PHE . 3.6 t70 -37.08 120.2 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.01 -48.73 0.94 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.536 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.53 ' CD1' ' HB3' ' A' ' 48' ' ' PHE . 57.3 m95 . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.333 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.89 0.376 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.06 140.68 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -144.44 151.63 39.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.966 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.437 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 47.8 m95 -77.29 105.53 8.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.807 HG23 HD11 ' A' ' 66' ' ' ILE . 14.3 tt -109.69 144.08 18.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.469 ' O ' HD12 ' A' ' 66' ' ' ILE . 2.8 m-20 -69.27 127.31 32.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.602 ' HB1' ' CE1' ' A' ' 14' ' ' PHE . . . -62.98 -12.97 29.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -106.57 9.05 31.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.7 t -69.4 141.09 90.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.693 0.759 . . . . 0.0 110.818 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -14.16 35.58 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.658 2.238 . . . . 0.0 112.304 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.492 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -79.94 -32.9 40.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.807 HD11 HG23 ' A' ' 59' ' ' ILE . 19.5 mt -66.69 126.38 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 95.2 m-70 -129.2 141.85 43.18 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.605 0.716 . . . . 0.0 110.881 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 156.21 64.08 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.716 2.277 . . . . 0.0 112.366 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.7 t -57.48 104.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.144 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 122.65 9.1 6.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.541 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.574 ' CH2' ' HB2' ' A' ' 77' ' ' HIS . 0.6 OUTLIER -70.76 -14.23 62.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.719 0.295 . . . . 0.0 110.916 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 30.1 p -63.85 -19.88 65.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 74' ' ' LYS . 5.1 m -91.31 -51.9 5.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 73' ' ' SER . 16.4 mtpp -36.63 -63.19 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.8 p -79.76 -47.9 14.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.144 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.93 26.91 3.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.526 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.574 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 9.4 m-70 -97.22 144.66 28.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.614 0.721 . . . . 0.0 110.859 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 144.11 52.78 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.654 2.236 . . . . 0.0 112.309 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.415 HD13 ' OE2' ' A' ' 21' ' ' GLU . 13.5 tp -109.62 142.14 41.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -106.25 133.77 20.08 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.553 0.692 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 156.04 64.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.387 179.91 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.481 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 41.1 m-85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.777 0.323 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -121.84 162.24 21.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.509 ' HG3' HG23 ' A' ' 39' ' ' THR . 22.9 mtmt -92.57 157.31 16.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt 66.93 25.09 9.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.853 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.9 ptt? -115.95 -176.72 3.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 43.9 mmtm -118.45 153.59 33.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.841 HD11 HG22 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -168.42 143.38 3.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 67' ' ' HIS . 90.7 mt-10 -81.31 114.51 20.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.829 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.841 HG22 HD11 ' A' ' 20' ' ' LEU . 58.8 t -110.98 139.27 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.586 HG22 HG12 ' A' ' 31' ' ' ILE . 84.9 t -81.59 124.58 39.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 27' ' ' ASN . 21.1 t0 -63.06 114.3 3.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.511 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 3.1 mmmm -46.1 -58.13 3.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -60.14 -27.82 67.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 24' ' ' ASP . 23.8 m-20 -132.31 91.92 29.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.643 0.735 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.48 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.7 Cg_endo -69.77 -22.59 31.79 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.71 2.273 . . . . 0.0 112.327 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.8 mtt -88.66 15.17 8.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -136.53 127.69 28.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.586 HG12 HG22 ' A' ' 23' ' ' VAL . 37.0 mt -124.84 135.67 63.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.458 ' NH1' ' CZ2' ' A' ' 51' ' ' TRP . 14.8 mtp180 -134.12 176.8 8.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.466 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 55.9 t -74.7 148.85 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -137.76 161.42 36.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.045 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.3 m -130.82 114.92 15.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.6 102.55 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.6 -52.37 8.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -137.16 141.91 42.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.524 HG22 HG12 ' A' ' 44' ' ' VAL . 40.0 p -114.13 111.1 21.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -82.48 -176.55 6.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -46.92 -63.63 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -125.03 29.49 6.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -146.0 168.95 19.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.558 HG13 ' HB2' ' A' ' 61' ' ' ALA . 35.0 m -151.99 120.99 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -71.24 110.2 5.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.0 m -93.94 119.39 41.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.151 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -105.3 120.43 41.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.585 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 5.0 m-85 -82.98 92.43 7.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -43.72 132.78 4.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.96 -37.49 3.53 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.51 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.585 ' CD1' ' HB3' ' A' ' 48' ' ' PHE . 11.4 m95 . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.761 0.315 . . . . 0.0 110.921 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.403 ' O ' ' O ' ' A' ' 56' ' ' ASP . 9.5 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.869 0.366 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 55' ' ' TYR . 0.5 OUTLIER -38.53 158.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.851 179.896 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.511 ' CZ ' ' HD3' ' A' ' 25' ' ' LYS . 5.7 p90 -155.56 156.58 35.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 46.4 m95 -79.29 107.54 12.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.974 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.879 HG23 HD11 ' A' ' 66' ' ' ILE . 15.8 tt -112.35 141.21 28.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.651 ' O ' HD12 ' A' ' 66' ' ' ILE . 1.1 m-20 -64.13 129.96 42.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.558 ' HB2' HG13 ' A' ' 44' ' ' VAL . . . -63.45 -24.03 67.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -98.96 19.45 15.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.5 t -78.65 140.69 59.48 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.639 0.733 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -22.9 31.34 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.668 2.245 . . . . 0.0 112.343 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.537 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -72.46 -28.04 62.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.879 HD11 HG23 ' A' ' 59' ' ' ILE . 56.6 mt -75.0 127.57 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.179 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.482 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 90.8 m-70 -129.1 143.29 48.22 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.597 0.713 . . . . 0.0 110.831 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 166.11 28.74 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.649 2.233 . . . . 0.0 112.367 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 37.6 t -65.4 100.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 126.65 13.96 2.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.58 ' CZ3' ' HB2' ' A' ' 77' ' ' HIS . 0.5 OUTLIER -77.79 -16.79 58.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.719 0.295 . . . . 0.0 110.892 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.403 ' HA ' ' CE3' ' A' ' 71' ' ' TRP . 25.4 p -65.05 -31.52 72.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 74' ' ' LYS . 1.5 t -84.53 -63.27 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.464 ' CG ' HG23 ' A' ' 75' ' ' THR . 16.8 ptmt -35.61 -36.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.499 HG21 ' CE2' ' A' ' 71' ' ' TRP . 21.7 p -99.77 -42.28 6.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.58 32.16 4.92 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.58 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 2.6 m80 -102.28 145.24 30.16 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.575 0.702 . . . . 0.0 110.825 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 129.4 17.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.637 2.225 . . . . 0.0 112.319 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.7 tp -100.76 148.2 25.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -120.63 129.76 25.16 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 110.933 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 158.96 55.17 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.656 2.237 . . . . 0.0 112.374 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.217 0 C-N-CA 122.669 2.246 . . . . 0.0 112.319 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.505 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 52.2 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.797 0.332 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -119.86 160.42 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -87.29 160.47 18.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp 62.94 29.92 16.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 16.6 ptt? -121.7 173.08 7.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HB2' HG21 ' A' ' 69' ' ' VAL . 22.4 mmtp -111.15 152.59 26.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.733 HD13 HG23 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -166.57 139.09 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.465 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 61.4 mt-10 -81.48 119.19 23.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.676 HG22 HD11 ' A' ' 20' ' ' LEU . 71.7 t -112.06 130.93 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.16 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.1 t -72.63 114.84 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.468 ' OD1' ' CZ ' ' A' ' 26' ' ' ARG . 7.7 t0 -51.17 111.63 0.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -48.63 -58.87 4.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.468 ' CZ ' ' OD1' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -51.73 -35.13 41.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.448 ' OD1' ' C ' ' A' ' 26' ' ' ARG . 3.9 m-20 -134.87 101.6 11.53 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.664 0.745 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -2.97 11.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.298 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 70.7 mtm -104.86 14.95 28.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -136.63 120.46 17.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.465 ' CG2' ' HB3' ' A' ' 21' ' ' GLU . 51.3 mt -119.86 138.57 50.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.3 mtt85 -135.51 179.29 6.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.42 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 96.5 t -82.23 148.33 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -138.93 145.48 39.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.8 m -115.66 110.21 18.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.03 103.24 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.34 -53.93 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -132.39 133.16 43.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.537 HG22 ' CG1' ' A' ' 44' ' ' VAL . 9.3 p -104.72 109.29 21.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.164 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.533 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 3.2 t70 -73.81 -174.71 1.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.99 -45.57 73.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -124.99 8.3 8.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 40' ' ' ASP . 11.9 mtt85 -141.6 169.96 16.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.537 ' CG1' HG22 ' A' ' 39' ' ' THR . 29.8 m -148.97 119.05 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -62.08 122.51 15.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 46' ' ' VAL . 18.9 m -111.99 114.33 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -98.86 140.33 33.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.589 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 4.9 m-85 -95.35 95.33 8.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 48' ' ' PHE . 11.7 t0 -36.53 135.91 0.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.91 -43.02 3.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.498 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.589 ' CD1' ' HB3' ' A' ' 48' ' ' PHE . 57.6 m95 . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.332 . . . . 0.0 110.879 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.918 0.39 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -39.38 159.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -165.14 153.52 11.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.533 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 58.8 m95 -79.49 104.79 10.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.824 HG23 HD11 ' A' ' 66' ' ' ILE . 15.9 tt -105.48 144.88 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.18 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.03 120.09 13.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.505 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -56.09 -28.6 58.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -93.17 21.31 6.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.9 t -81.61 138.04 47.65 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 110.847 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -16.0 37.18 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.707 2.271 . . . . 0.0 112.326 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.99 -37.53 54.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.824 HD11 HG23 ' A' ' 59' ' ' ILE . 36.4 mt -62.02 123.75 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.523 ' HB3' ' CG ' ' A' ' 71' ' ' TRP . 95.2 m-70 -125.67 147.67 59.23 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.569 0.699 . . . . 0.0 110.863 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 163.66 37.43 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.466 HG21 ' HB2' ' A' ' 19' ' ' LYS . 17.8 t -58.1 -29.35 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.14 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.83 18.76 49.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.534 ' CZ3' ' HB2' ' A' ' 77' ' ' HIS . 87.5 t90 -70.63 -45.46 65.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.745 0.307 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 14.0 p -47.54 -32.5 5.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.1 m -85.78 -59.11 2.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -42.68 -41.98 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.515 HG21 ' CE2' ' A' ' 71' ' ' TRP . 61.6 p -93.14 -55.16 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 110.26 35.82 2.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.44 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.534 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 3.8 m80 -107.52 148.6 37.53 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 128.93 16.74 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 0.0 112.375 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.431 HD13 ' CD ' ' A' ' 21' ' ' GLU . 25.2 tp -95.48 143.84 26.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -101.34 132.89 21.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.576 0.703 . . . . 0.0 110.917 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 149.44 66.63 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.673 2.249 . . . . 0.0 112.304 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 C--O 1.232 0.21 0 C-N-CA 122.724 2.282 . . . . 0.0 112.304 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.681 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 42.1 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.866 0.365 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -121.62 166.61 13.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -89.35 149.68 22.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.0 mttt 68.83 27.62 5.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.416 ' SD ' HG23 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -107.58 179.88 4.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.871 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.479 ' O ' HG23 ' A' ' 69' ' ' VAL . 28.6 mmtt -122.55 138.15 54.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.775 HD13 HG23 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -155.56 140.01 16.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 67' ' ' HIS . 86.7 mt-10 -81.32 116.0 20.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.774 HG22 HD11 ' A' ' 20' ' ' LEU . 95.9 t -108.25 135.61 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.557 HG22 HG12 ' A' ' 31' ' ' ILE . 74.2 t -81.16 123.08 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -60.66 128.97 39.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 26' ' ' ARG . 24.6 mmtt -62.75 -54.33 40.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.601 ' NE ' ' H ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -56.54 -31.81 64.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -135.0 94.03 16.62 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.604 0.716 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -5.18 15.59 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.665 2.243 . . . . 0.0 112.379 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.4 mtm -100.25 9.63 42.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -132.29 136.72 47.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.602 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 20.4 mt -129.18 144.45 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.3 mtt85 -141.69 160.36 40.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.3 t -65.8 145.91 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 20' ' ' LEU . . . -133.57 167.77 19.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.3 m -140.58 116.69 10.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.416 HG23 ' SD ' ' A' ' 18' ' ' MET . 47.5 t -62.53 102.88 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.98 -42.42 17.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.092 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -141.38 133.81 28.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.2 p -107.91 112.79 25.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.556 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 6.5 t70 -88.52 -175.61 5.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -49.21 -63.34 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -124.98 28.45 6.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -146.7 169.97 17.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 44' ' ' VAL . 27.0 m -153.84 118.27 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -64.97 111.1 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.417 HG11 HG21 ' A' ' 22' ' ' VAL . 3.2 m -92.05 121.11 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 32.1 t60 -103.64 117.88 35.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' ASP . 4.2 m-85 -76.81 97.98 4.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' PHE . 26.3 t70 -35.66 138.03 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.47 -68.13 3.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.489 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 62.4 m95 . . . . . 0 C--N 1.327 -0.37 0 CA-C-O 120.836 0.351 . . . . 0.0 110.882 -179.899 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.831 0.348 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.402 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 0.9 OUTLIER -54.99 156.46 3.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -157.09 155.73 31.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.556 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 39.7 m95 -80.8 106.03 12.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.947 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.659 HG23 HD11 ' A' ' 66' ' ' ILE . 14.6 tt -108.57 145.52 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.113 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.726 ' O ' HD12 ' A' ' 66' ' ' ILE . 7.8 m-20 -73.2 126.39 29.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.681 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -59.26 -20.41 54.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -96.65 5.49 50.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.3 t -65.29 142.15 98.38 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.705 0.764 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -26.86 27.17 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.65 2.233 . . . . 0.0 112.384 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.429 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 0.6 OUTLIER -68.89 -36.03 77.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.775 HG23 HD13 ' A' ' 20' ' ' LEU . 56.7 mt -60.92 118.04 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.073 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 98.2 m-70 -121.96 142.02 35.43 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.561 0.696 . . . . 0.0 110.851 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 157.91 58.79 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.667 2.244 . . . . 0.0 112.34 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 19' ' ' LYS . 18.0 t -58.56 104.8 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 121.32 11.51 6.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.451 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.602 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 1.2 t90 -70.27 -14.4 62.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.817 0.342 . . . . 0.0 110.958 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 17.3 p -64.56 -22.42 66.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 74' ' ' LYS . 3.1 m -81.0 -56.3 4.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 73' ' ' SER . 8.2 mtpm? -35.24 -73.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.0 p -73.6 -30.25 62.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.75 26.0 23.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.572 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 0.7 OUTLIER -85.54 144.83 40.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.611 0.72 . . . . 0.0 110.832 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 129.85 18.29 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.695 2.263 . . . . 0.0 112.301 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 22.1 tp -96.44 154.28 17.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -118.1 125.48 27.91 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.526 0.679 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 161.74 44.78 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.233 0.231 0 C-N-CA 122.657 2.238 . . . . 0.0 112.372 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.694 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 46.8 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.824 0.345 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.574 ' O ' HG11 ' A' ' 36' ' ' VAL . 55.0 mt-30 -116.82 179.04 4.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.57 ' HG3' HG23 ' A' ' 39' ' ' THR . 15.4 mtmt -105.02 152.71 22.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 72.0 mttt 66.78 25.09 9.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.45 ' CE ' HG21 ' A' ' 36' ' ' VAL . 11.3 ptt? -113.44 -174.98 2.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -117.47 144.33 45.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.795 HD21 HG12 ' A' ' 46' ' ' VAL . 0.5 OUTLIER -157.82 148.67 21.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.841 ' OE1' HG22 ' A' ' 31' ' ' ILE . 9.3 mm-40 -91.09 140.46 29.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.657 ' CG2' HD11 ' A' ' 20' ' ' LEU . 61.8 t -134.67 138.82 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.576 HG22 HG12 ' A' ' 31' ' ' ILE . 94.4 t -81.34 119.01 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 27' ' ' ASN . 2.4 t70 -52.23 116.03 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -47.32 -58.66 3.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.93 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -62.97 -28.93 70.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.41 ' HA ' ' HD2' ' A' ' 28' ' ' PRO . 3.9 m120 -126.24 91.89 46.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.627 0.727 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.51 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.3 Cg_endo -69.76 -5.66 16.75 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.725 2.283 . . . . 0.0 112.342 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 20.4 mtt -106.01 11.59 31.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -136.51 126.7 26.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.841 HG22 ' OE1' ' A' ' 21' ' ' GLU . 14.5 mt -121.92 139.69 48.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.161 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.449 ' C ' ' OE1' ' A' ' 21' ' ' GLU . 66.9 mtt85 -131.2 153.16 49.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.485 HG22 ' OE2' ' A' ' 21' ' ' GLU . 75.9 t -62.2 146.29 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.517 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -131.41 172.93 11.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.8 m -137.67 112.21 8.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.574 HG11 ' O ' ' A' ' 15' ' ' GLN . 21.7 t -62.48 104.11 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.81 -41.73 17.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -148.0 136.61 21.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.57 HG23 ' HG3' ' A' ' 16' ' ' LYS . 78.1 p -109.16 113.0 25.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.137 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.455 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 9.9 t70 -84.35 -179.38 7.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -42.74 -57.58 2.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -133.19 32.61 3.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -147.53 169.68 19.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 44' ' ' VAL . 26.9 m -152.46 118.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -66.59 104.28 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.795 HG12 HD21 ' A' ' 20' ' ' LEU . 11.5 m -88.45 113.18 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -101.09 116.04 31.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -75.41 106.39 6.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -43.62 127.81 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.88 -58.93 3.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.443 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 67.1 m95 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.822 0.344 . . . . 0.0 110.873 -179.852 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 56' ' ' ASP . 35.4 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.901 0.382 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -34.94 151.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 179.885 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -160.93 154.0 21.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.455 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 52.9 m95 -77.09 105.54 8.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.946 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.86 HG23 HD11 ' A' ' 66' ' ' ILE . 17.0 tt -111.57 143.29 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.77 ' O ' HD12 ' A' ' 66' ' ' ILE . 78.8 m-20 -66.14 125.33 25.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.694 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -59.45 -26.73 65.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -92.49 6.91 45.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.4 t -59.72 139.17 89.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.676 0.751 . . . . 0.0 110.868 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -15.14 36.87 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.709 2.273 . . . . 0.0 112.301 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.57 -32.78 21.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.86 HD11 HG23 ' A' ' 59' ' ' ILE . 56.3 mt -65.1 124.71 20.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 21' ' ' GLU . 99.0 m-70 -126.97 142.15 42.79 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.606 0.717 . . . . 0.0 110.854 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 153.26 69.28 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.4 t -48.01 -20.66 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.96 33.09 6.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.571 ' CH2' ' HB2' ' A' ' 77' ' ' HIS . 64.9 t90 -94.74 -50.63 5.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.782 0.325 . . . . 0.0 110.967 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.0 p -41.9 -42.51 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 74' ' ' LYS . 36.9 m -78.42 -57.7 3.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 73' ' ' SER . 23.5 mtpp -36.96 -55.19 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.7 p -83.5 -44.7 14.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.16 27.76 5.77 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.538 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.571 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 5.0 m170 -93.3 145.17 29.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.624 0.726 . . . . 0.0 110.805 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 122.84 9.53 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.534 HD21 ' OE2' ' A' ' 21' ' ' GLU . 21.8 tp -94.04 152.36 18.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -115.1 134.49 22.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.585 0.707 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.55 68.25 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.338 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.22 0 C-N-CA 122.706 2.271 . . . . 0.0 112.347 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.45 ' CZ ' HG21 ' A' ' 66' ' ' ILE . 16.6 m-85 . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.815 0.341 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -120.57 162.3 19.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -87.47 149.99 24.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.6 mttp 68.88 25.79 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.544 ' CE ' HG21 ' A' ' 36' ' ' VAL . 12.2 ptt? -110.8 173.78 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.459 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 40.1 mmtm -114.55 149.19 36.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.872 HD11 HG22 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -164.2 140.51 6.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 67' ' ' HIS . 84.5 mt-10 -81.34 116.81 21.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.872 HG22 HD11 ' A' ' 20' ' ' LEU . 59.8 t -110.35 138.92 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.119 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.495 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 98.6 t -81.98 114.3 22.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 27' ' ' ASN . 19.7 t0 -52.72 109.38 0.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.476 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 1.7 mmmm -43.3 -58.94 2.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -57.86 -34.53 69.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 24' ' ' ASP . 1.6 m-20 -126.98 90.59 49.1 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.495 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.7 Cg_endo -69.75 -14.81 36.65 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.362 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -92.35 11.96 24.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -135.22 135.59 41.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.826 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.559 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 34.1 mt -129.27 143.45 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 -140.82 178.24 7.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.459 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 76.0 t -85.2 137.2 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.434 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -121.3 161.71 21.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.4 m -129.96 106.11 8.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.13 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.544 HG21 ' CE ' ' A' ' 18' ' ' MET . 11.7 t -56.95 104.0 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.12 -49.47 8.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -135.74 134.63 39.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.2 p -107.05 110.71 22.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 43' ' ' ARG . 12.4 t0 -75.55 -174.76 2.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.824 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.86 -39.2 83.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -132.24 9.76 4.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 40' ' ' ASP . 17.0 mtt85 -142.25 173.4 11.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 44' ' ' VAL . 31.1 m -152.66 118.93 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.178 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -64.2 119.17 9.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.6 m -103.91 117.09 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -104.72 121.08 42.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -76.91 115.31 16.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -49.49 125.53 11.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.78 -45.34 2.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.45 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 11.8 m0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 110.916 -179.903 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 56' ' ' ASP . 74.0 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.897 0.379 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 55' ' ' TYR . 2.8 m-20 -36.53 147.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.416 ' CZ ' ' HD3' ' A' ' 25' ' ' LYS . 4.1 p90 -156.42 145.99 20.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.975 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.488 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 50.9 m95 -72.65 105.37 4.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.781 HG23 HD11 ' A' ' 66' ' ' ILE . 14.1 tt -107.39 142.43 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.611 ' O ' HD12 ' A' ' 66' ' ' ILE . 6.4 m-20 -65.65 129.55 40.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.07 -27.31 68.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.68 23.26 8.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.8 t -78.89 141.53 59.3 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.661 0.743 . . . . 0.0 110.828 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -22.55 31.71 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.326 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.44 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 0.1 OUTLIER -74.9 -33.13 61.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.781 HD11 HG23 ' A' ' 59' ' ' ILE . 33.0 mt -64.56 123.74 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.522 ' HB3' ' CD1' ' A' ' 71' ' ' TRP . 85.0 m-70 -128.88 143.39 48.47 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.611 0.719 . . . . 0.0 110.842 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 158.43 57.02 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.347 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.445 HG21 ' HB2' ' A' ' 19' ' ' LYS . 17.5 t -50.2 -24.69 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -96.59 38.08 3.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.559 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 84.4 t90 -94.01 -61.44 1.53 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.756 0.312 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 30.1 p -41.13 -24.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' TRP . 47.7 m -91.18 -61.43 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.551 ' HE2' ' CD1' ' A' ' 71' ' ' TRP . 26.4 pttt -46.38 -33.54 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.45 HG21 ' CE2' ' A' ' 71' ' ' TRP . 36.1 p -99.8 -15.45 18.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.95 25.15 75.94 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.545 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 4.5 m170 -91.53 151.13 42.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 141.45 44.93 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.0 tp -116.49 155.6 28.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -115.06 131.84 23.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.728 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 149.32 66.79 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.731 2.287 . . . . 0.0 112.377 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.193 0 C-N-CA 122.709 2.273 . . . . 0.0 112.331 179.952 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.817 0.341 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -139.72 165.42 27.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -93.18 156.3 16.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.5 mttm 63.97 27.27 14.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.3 ptt? -113.97 172.52 6.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.881 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.443 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 35.6 mmtm -110.03 146.59 35.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.792 HD11 HG22 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -164.07 141.0 6.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.471 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 81.2 mt-10 -81.64 116.26 21.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.792 HG22 HD11 ' A' ' 20' ' ' LEU . 87.1 t -109.2 139.45 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.15 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 65' ' ' ASP . 93.8 t -80.06 115.25 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -53.25 115.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 10.8 mmmt -51.25 -58.4 6.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -56.18 -30.93 62.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.416 ' HA ' ' HD2' ' A' ' 28' ' ' PRO . 1.2 m-20 -131.84 92.71 29.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.658 0.742 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 27' ' ' ASN . 53.6 Cg_endo -69.74 -4.69 14.52 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 35.5 mtm -103.1 12.02 36.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -135.41 131.62 36.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.496 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 39.5 mt -127.91 136.55 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.189 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.6 mtt85 -137.97 165.14 27.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.443 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 86.2 t -66.08 144.12 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.446 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -128.99 172.46 11.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.113 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.3 m -138.09 112.4 8.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.8 t -66.92 104.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.11 -43.67 23.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.044 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -148.86 142.89 25.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.502 HG22 HG12 ' A' ' 44' ' ' VAL . 65.2 p -112.32 116.05 29.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.484 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 6.2 t70 -86.69 -176.47 5.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -44.48 -61.09 1.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -129.06 27.98 5.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.1 mtm-85 -141.89 170.05 16.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.502 HG12 HG22 ' A' ' 39' ' ' THR . 22.8 m -153.79 118.68 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -67.12 108.71 2.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.476 HG12 HD21 ' A' ' 20' ' ' LEU . 8.7 m -98.85 116.46 41.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -104.96 132.6 51.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -87.21 130.8 34.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -79.67 141.87 36.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.62 -30.01 3.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.514 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 15.4 m0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 110.934 -179.918 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.457 ' O ' ' C ' ' A' ' 56' ' ' ASP . 76.4 m-85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.919 0.39 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.457 ' C ' ' O ' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -33.96 130.03 0.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -143.19 149.3 37.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.484 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 51.6 m95 -80.15 105.06 11.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.953 HG23 HD11 ' A' ' 66' ' ' ILE . 14.0 tt -107.25 136.11 43.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.72 124.77 21.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.25 -20.69 63.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.054 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -95.99 6.11 49.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.5 t -69.09 136.45 89.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.667 0.746 . . . . 0.0 110.893 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -9.66 26.68 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.753 2.302 . . . . 0.0 112.371 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.65 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -80.07 -31.89 39.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.953 HD11 HG23 ' A' ' 59' ' ' ILE . 41.5 mt -71.64 130.96 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.473 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 94.8 m-70 -129.14 143.11 47.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.586 0.707 . . . . 0.0 110.85 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 158.24 57.61 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.409 ' O ' HG12 ' A' ' 69' ' ' VAL . 15.0 t -59.28 101.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 122.16 16.2 4.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 77' ' ' HIS . 1.7 t90 -74.18 -18.75 60.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.769 0.318 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.1 p -54.82 -40.89 70.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 74' ' ' LYS . 38.2 t -77.06 -48.94 16.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' SER . 24.6 mtpp -37.17 -61.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.6 p -83.74 -44.17 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.2 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.88 28.53 3.12 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.568 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 8.1 m80 -102.29 143.51 26.75 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.585 0.707 . . . . 0.0 110.837 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 137.72 36.13 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.4 tp -102.68 138.97 38.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -100.57 130.98 24.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.615 0.722 . . . . 0.0 110.935 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 150.27 68.06 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.172 0 C-N-CA 122.656 2.238 . . . . 0.0 112.387 179.912 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.503 ' CE2' HG21 ' A' ' 66' ' ' ILE . 40.0 m-85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.794 0.331 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -125.11 170.16 11.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.469 ' CE ' ' HA ' ' A' ' 38' ' ' ASP . 19.1 mttt -89.39 147.64 23.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.0 mttt 67.94 33.56 4.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 10.0 ptt? -120.19 174.81 6.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.545 ' O ' HG23 ' A' ' 69' ' ' VAL . 20.0 mmtp -111.11 147.67 34.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.684 HD11 ' CG2' ' A' ' 22' ' ' VAL . 0.4 OUTLIER -164.66 139.55 5.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.474 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 89.0 mt-10 -84.53 123.66 30.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.684 ' CG2' HD11 ' A' ' 20' ' ' LEU . 70.9 t -116.54 139.42 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 65' ' ' ASP . 95.5 t -79.09 118.94 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -56.83 106.94 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -42.17 -58.37 2.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.7 ptt85 -54.3 -41.04 68.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -126.98 95.96 35.74 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.634 0.731 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.47 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 54.5 Cg_endo -69.72 -3.11 11.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.262 . . . . 0.0 112.398 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -101.9 12.31 37.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -136.25 122.06 19.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.566 ' CD1' ' CH2' ' A' ' 71' ' ' TRP . 34.3 mt -121.09 138.15 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -137.66 168.22 20.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.461 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 59.3 t -74.21 139.8 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.404 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -123.23 174.2 7.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.8 m -138.63 112.16 8.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.154 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.1 t -64.35 103.98 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.27 -45.76 19.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.469 ' HA ' ' CE ' ' A' ' 16' ' ' LYS . 5.8 t0 -146.85 138.62 24.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 70.4 p -104.42 109.29 21.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.502 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 2.0 t70 -77.2 179.06 6.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -47.76 -57.22 5.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -128.28 17.78 6.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 40' ' ' ASP . 37.4 mtt85 -138.69 170.99 15.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.8 m -150.16 131.29 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.146 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -76.79 107.59 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.531 HG12 HD21 ' A' ' 20' ' ' LEU . 12.5 m -93.0 113.74 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -105.36 125.54 51.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -81.56 117.11 21.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -47.57 117.47 1.83 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.92 -40.83 2.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 12.3 m0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.31 . . . . 0.0 110.964 -179.952 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.443 ' O ' ' C ' ' A' ' 56' ' ' ASP . 10.1 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.875 0.369 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 55' ' ' TYR . 2.2 m-20 -34.21 148.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.902 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -154.9 148.23 25.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.502 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 46.1 m95 -75.66 105.16 6.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.496 HG23 HD11 ' A' ' 66' ' ' ILE . 16.2 tt -107.62 143.6 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 63' ' ' SER . 4.7 m-20 -72.32 121.69 19.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.24 -37.82 65.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -72.48 1.99 7.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 60' ' ' ASP . 20.5 t -67.75 133.73 92.38 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.712 0.767 . . . . 0.0 110.841 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -23.81 30.62 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.473 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -65.67 -34.24 77.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.592 HG23 HD13 ' A' ' 20' ' ' LEU . 83.4 mt -63.29 130.46 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.484 ' HB3' ' CG ' ' A' ' 71' ' ' TRP . 87.5 m-70 -129.11 142.32 44.79 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.544 0.688 . . . . 0.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 153.96 68.41 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 19' ' ' LYS . 10.6 t -45.68 -29.12 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.143 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.31 45.56 1.54 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.566 ' CH2' ' CD1' ' A' ' 31' ' ' ILE . 81.3 t90 -95.14 -53.31 3.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.789 0.328 . . . . 0.0 110.921 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 71' ' ' TRP . 32.0 p -35.85 -39.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 74' ' ' LYS . 13.3 p -72.66 -64.56 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' SER . 14.7 mtpp -34.28 -66.94 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.6 p -75.44 -20.06 59.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.9 33.38 57.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.519 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.434 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 5.1 m-70 -99.06 150.98 37.2 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 0.0 110.826 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 148.57 64.95 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.306 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.451 HD12 ' O ' ' A' ' 31' ' ' ILE . 29.7 tp -118.66 150.16 40.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -108.98 132.15 21.36 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.556 0.693 . . . . 0.0 110.96 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 149.73 67.45 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.349 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.38 179.918 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.604 ' CE2' HG21 ' A' ' 66' ' ' ILE . 18.9 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.815 0.34 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -125.88 174.6 8.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.61 ' HG3' HG23 ' A' ' 39' ' ' THR . 25.5 mtmt -102.25 156.14 17.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.4 mtmt 66.18 25.24 10.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 15.7 ptt? -113.28 172.5 6.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.665 ' NZ ' HG11 ' A' ' 33' ' ' VAL . 20.9 mmtp -112.37 145.99 39.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.828 HD13 HG23 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -163.99 140.76 6.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.466 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 69.9 mt-10 -81.3 115.43 20.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.663 HG22 HD11 ' A' ' 20' ' ' LEU . 73.3 t -108.31 146.63 13.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 54.2 t -85.63 118.25 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.122 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -51.13 134.23 27.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -69.69 -38.9 77.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.779 ' HE ' ' N ' ' A' ' 26' ' ' ARG . 0.8 OUTLIER -66.68 -38.26 86.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -138.51 104.99 7.69 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.579 0.704 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.472 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 54.2 Cg_endo -69.7 -3.03 11.16 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.347 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.2 mmt -97.17 8.25 44.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -131.24 133.45 45.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.644 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 23.7 mt -129.1 140.7 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.088 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.451 ' NH2' ' O ' ' A' ' 81' ' ' PRO . 17.2 mtp85 -141.23 171.92 13.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.819 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.665 HG11 ' NZ ' ' A' ' 19' ' ' LYS . 68.4 t -72.18 145.85 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 20' ' ' LEU . . . -131.23 168.9 16.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 84.8 m -139.68 107.2 5.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.9 t -62.22 102.83 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.106 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.94 -47.6 16.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -140.56 145.33 36.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.806 HG22 HG12 ' A' ' 44' ' ' VAL . 74.5 p -115.97 121.32 41.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.521 ' OD1' ' CH2' ' A' ' 58' ' ' TRP . 5.8 m-20 -92.49 -175.24 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -45.77 -63.3 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -127.01 32.11 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.9 mtt85 -146.5 168.35 21.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.806 HG12 HG22 ' A' ' 39' ' ' THR . 4.2 m -151.24 118.31 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -65.61 109.45 2.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 46' ' ' VAL . 15.9 m -99.1 114.5 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -101.26 138.83 37.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -94.28 102.64 14.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -45.17 123.69 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 103.3 -45.82 1.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 30.0 m95 . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 120.831 0.348 . . . . 0.0 110.884 -179.905 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.449 ' O ' ' C ' ' A' ' 56' ' ' ASP . 35.3 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.859 0.361 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 55' ' ' TYR . 17.9 m-20 -34.41 144.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -150.68 155.89 40.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.521 ' CH2' ' OD1' ' A' ' 40' ' ' ASP . 47.8 m95 -86.15 105.54 16.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.611 HG23 HD11 ' A' ' 66' ' ' ILE . 16.2 tt -105.23 144.29 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.78 125.1 24.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.09 -24.86 64.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -94.54 17.14 13.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.1 t -81.64 136.8 48.1 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.63 0.729 . . . . 0.0 110.875 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -16.63 37.55 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.374 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.41 -32.94 70.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.828 HG23 HD13 ' A' ' 20' ' ' LEU . 66.5 mt -68.06 129.08 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 93.3 m-70 -129.09 142.74 46.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.609 0.719 . . . . 0.0 110.871 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 158.91 55.36 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.695 2.263 . . . . 0.0 112.339 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.5 t -60.16 103.48 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.089 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 123.77 6.7 7.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.644 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 3.0 t90 -66.56 -14.65 62.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.336 . . . . 0.0 110.969 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 16.7 p -70.02 -24.64 63.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.1 m -88.93 -50.44 6.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -39.26 -65.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.8 p -77.64 -43.17 32.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 110.08 29.11 3.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.479 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 4.1 m80 -94.19 145.83 30.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.582 0.706 . . . . 0.0 110.835 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 139.07 39.33 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.638 2.225 . . . . 0.0 112.37 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.4 tp -108.21 140.46 41.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.952 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -105.9 127.45 28.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.628 0.728 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.451 ' O ' ' NH2' ' A' ' 32' ' ' ARG . 53.6 Cg_endo -69.8 154.73 67.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.325 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.84 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 32.0 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.785 0.326 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -115.56 166.15 12.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.541 ' HG3' HG23 ' A' ' 39' ' ' THR . 15.2 mtmt -94.0 154.45 17.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.6 mttm 68.4 24.98 7.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.915 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 11.7 ptt? -114.19 178.14 4.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.424 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 21.6 mmtm -115.19 152.61 32.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.945 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.93 HD11 HG22 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -167.0 140.71 3.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.431 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 75.1 mt-10 -81.16 117.47 21.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.93 HG22 HD11 ' A' ' 20' ' ' LEU . 42.7 t -113.08 142.1 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.558 HG22 HG12 ' A' ' 31' ' ' ILE . 92.0 t -83.56 118.08 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -56.12 121.25 8.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -54.17 -58.26 8.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.519 ' NH1' ' CE1' ' A' ' 55' ' ' TYR . 7.6 ptm180 -53.03 -35.88 59.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -133.0 96.06 18.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.475 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.6 Cg_endo -69.74 -9.74 26.87 Favored 'Trans proline' 0 N--CA 1.466 -0.128 0 C-N-CA 122.738 2.292 . . . . 0.0 112.35 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.4 mtt -94.84 13.39 24.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -135.84 129.44 32.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.558 HG12 HG22 ' A' ' 23' ' ' VAL . 28.9 mt -125.0 130.2 73.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -130.18 168.92 16.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.424 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 50.2 t -69.94 150.15 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -136.85 167.37 21.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.5 m -135.09 112.51 10.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.7 t -60.71 103.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.23 -55.36 5.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.092 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.414 ' HB3' ' CH2' ' A' ' 58' ' ' TRP . 2.3 t70 -139.26 135.43 33.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.541 HG23 ' HG3' ' A' ' 16' ' ' LYS . 70.3 p -104.85 110.38 22.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.479 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 9.9 t0 -83.62 -178.22 6.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -41.57 -68.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -123.9 33.44 5.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.3 mtt85 -148.13 173.57 12.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 44' ' ' VAL . 34.6 m -156.66 121.19 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -72.41 103.85 3.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.42 HG12 HD21 ' A' ' 20' ' ' LEU . 5.9 m -82.72 120.68 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -103.87 119.08 38.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.825 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.798 ' CD2' ' CZ2' ' A' ' 51' ' ' TRP . 83.6 m-85 -85.75 103.64 14.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -57.54 126.92 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.71 -42.18 1.97 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.798 ' CZ2' ' CD2' ' A' ' 48' ' ' PHE . 18.9 m0 . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 120.727 0.298 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.519 ' CE1' ' NH1' ' A' ' 26' ' ' ARG . 7.3 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.914 0.388 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 55' ' ' TYR . 0.6 OUTLIER -34.55 150.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -152.88 167.51 28.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.479 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 53.6 m95 -84.13 105.89 15.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.867 HG23 HD11 ' A' ' 66' ' ' ILE . 16.9 tt -111.34 143.04 21.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.162 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.773 ' O ' HD12 ' A' ' 66' ' ' ILE . 2.2 m-20 -66.01 127.81 33.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.84 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -61.71 -25.46 67.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.89 14.57 21.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 t -72.95 140.95 81.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.617 0.722 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -20.14 35.55 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.45 -28.8 52.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.867 HD11 HG23 ' A' ' 59' ' ' ILE . 54.2 mt -71.67 124.13 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 98.2 m-70 -125.72 142.55 42.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.714 . . . . 0.0 110.868 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 164.95 32.65 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.322 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 69' ' ' VAL . 27.1 t -64.97 97.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.79 18.01 2.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.515 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.517 ' CH2' ' HB2' ' A' ' 77' ' ' HIS . 1.4 t90 -76.1 -23.77 54.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.783 0.325 . . . . 0.0 110.93 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.428 ' HA ' ' CE3' ' A' ' 71' ' ' TRP . 26.9 p -50.89 -43.05 59.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 74' ' ' LYS . 3.8 m -72.26 -51.52 20.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 73' ' ' SER . 47.2 mtpt -35.18 -65.45 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.7 p -78.21 -47.33 18.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.04 32.68 1.8 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.519 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.517 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 0.6 OUTLIER -108.69 149.66 39.75 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.563 0.697 . . . . 0.0 110.85 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 147.35 62.7 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.679 2.253 . . . . 0.0 112.394 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.3 tp -114.83 147.14 40.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -112.29 131.52 22.54 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.547 0.689 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.37 60.63 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.648 2.232 . . . . 0.0 112.392 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.233 0.227 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.786 0.327 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -128.36 161.95 28.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.435 ' NZ ' ' HB2' ' A' ' 16' ' ' LYS . 1.7 mtmp? -90.71 163.82 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? 61.81 25.15 15.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -114.75 -178.5 3.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.622 ' O ' HG23 ' A' ' 69' ' ' VAL . 40.9 mmtm -119.81 147.6 44.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.968 HD11 HG22 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -159.57 139.59 11.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.515 ' OE1' HD13 ' A' ' 79' ' ' LEU . 52.1 mt-10 -81.03 115.69 20.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.968 HG22 HD11 ' A' ' 20' ' ' LEU . 21.7 t -109.84 147.64 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.496 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 98.9 t -90.67 114.26 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 27' ' ' ASN . 21.1 t0 -52.86 107.99 0.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 10.6 mmmt -42.04 -52.49 4.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -63.27 -28.23 69.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' ASP . 48.9 m-20 -131.24 91.3 35.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.496 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.8 Cg_endo -69.77 -7.17 20.38 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.692 2.261 . . . . 0.0 112.307 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 26.0 mmt -105.55 14.38 28.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -136.57 127.19 27.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.517 ' O ' HD12 ' A' ' 79' ' ' LEU . 43.0 mt -122.92 133.92 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -127.35 -175.0 3.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.479 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 25.4 t -87.9 142.1 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.16 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -131.72 162.01 31.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.5 m -133.17 114.8 14.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.138 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.9 t -60.06 102.47 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.32 -54.43 6.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -139.59 133.37 30.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.736 HG22 HG12 ' A' ' 44' ' ' VAL . 49.1 p -102.87 109.26 20.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 43' ' ' ARG . 29.7 m-20 -83.97 -177.29 6.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -38.3 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -121.04 34.23 5.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 40' ' ' ASP . 24.4 mtt85 -148.55 161.72 41.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.736 HG12 HG22 ' A' ' 39' ' ' THR . 22.3 m -142.93 117.86 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -66.22 108.03 2.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.536 HG12 HD21 ' A' ' 20' ' ' LEU . 8.4 m -89.2 113.26 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.439 ' ND1' ' OD2' ' A' ' 56' ' ' ASP . 7.7 t60 -101.12 118.17 36.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.595 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 7.5 m-85 -83.17 112.26 19.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 82' ' ' PRO . 1.6 t70 -61.61 134.15 56.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.67 -41.36 2.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.595 ' CD1' ' HB3' ' A' ' 48' ' ' PHE . 18.1 m95 . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.811 0.338 . . . . 0.0 110.908 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.906 0.384 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.439 ' OD2' ' ND1' ' A' ' 47' ' ' HIS . 0.9 OUTLIER -39.15 159.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -155.34 162.66 40.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -82.08 105.54 13.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.828 HG23 HD11 ' A' ' 66' ' ' ILE . 16.1 tt -110.69 145.09 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.135 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.736 ' O ' HD12 ' A' ' 66' ' ' ILE . 3.7 m-20 -70.66 126.46 29.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.38 -22.62 54.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -92.08 -2.86 56.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.0 t -54.82 137.02 64.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.652 0.739 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -18.31 37.24 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.622 2.215 . . . . 0.0 112.358 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.452 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.4 OUTLIER -79.77 -26.86 40.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.828 HD11 HG23 ' A' ' 59' ' ' ILE . 68.9 mt -71.26 126.18 31.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.509 ' HB3' ' CG ' ' A' ' 71' ' ' TRP . 91.5 m-70 -129.16 145.54 57.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.64 0.733 . . . . 0.0 110.863 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 158.79 55.69 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.654 2.236 . . . . 0.0 112.314 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 19' ' ' LYS . 41.8 t -50.48 -30.53 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.02 40.46 2.54 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.453 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.708 ' CE2' HG21 ' A' ' 75' ' ' THR . 70.3 t90 -91.03 -51.69 5.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.792 0.33 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 71' ' ' TRP . 31.9 p -35.94 -39.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 74' ' ' LYS . 66.7 m -68.3 -66.28 0.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 73' ' ' SER . 24.0 mttt -33.64 -70.71 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.708 HG21 ' CE2' ' A' ' 71' ' ' TRP . 1.5 p -68.77 -41.72 78.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.181 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.61 31.61 7.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.479 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.568 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 1.0 OUTLIER -97.17 145.6 29.9 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.836 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 123.81 10.48 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.653 2.235 . . . . 0.0 112.393 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.517 HD12 ' O ' ' A' ' 31' ' ' ILE . 32.8 tp -90.79 145.96 24.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -116.02 134.28 22.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.623 0.725 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 168.72 20.83 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.425 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 54.0 Cg_endo . . . . . 0 C--O 1.233 0.228 0 C-N-CA 122.692 2.261 . . . . 0.0 112.394 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.729 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 12.3 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.788 0.328 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -120.53 158.27 27.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -90.89 149.41 21.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.7 mttm 71.38 27.58 3.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.8 ptt? -111.62 177.85 4.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.485 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 39.2 mmtt -118.34 143.17 46.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.735 HD13 HG23 ' A' ' 66' ' ' ILE . 0.5 OUTLIER -160.82 142.39 12.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.972 179.891 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.471 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 94.2 mt-10 -84.73 117.77 24.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.665 ' CG2' HD11 ' A' ' 20' ' ' LEU . 69.2 t -108.92 142.41 21.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.072 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.588 HG22 HG12 ' A' ' 31' ' ' ILE . 94.2 t -88.53 116.45 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -53.46 118.69 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 10.5 mmmt -51.89 -58.24 7.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -32.58 67.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -128.61 93.33 38.08 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.648 0.737 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -4.13 13.43 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.576 ' HG2' ' CD1' ' A' ' 30' ' ' PHE . 1.2 pmm? -107.81 16.69 23.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.576 ' CD1' ' HG2' ' A' ' 29' ' ' MET . 34.8 m-85 -134.95 112.01 10.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.588 HG12 HG22 ' A' ' 23' ' ' VAL . 44.4 mt -112.24 131.28 64.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.443 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 62.5 mtt85 -130.29 165.91 21.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.485 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 24.8 t -70.09 141.01 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 20' ' ' LEU . . . -127.41 163.72 23.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.4 m -137.63 109.97 7.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.6 t -58.96 102.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.55 -50.29 8.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -138.1 130.13 28.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.834 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.3 p -99.74 109.97 22.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 9.2 t0 -76.95 -175.03 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.33 -58.17 5.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -125.26 -5.94 7.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 40' ' ' ASP . 52.4 mtt180 -112.38 166.88 10.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.502 HG13 ' HB2' ' A' ' 61' ' ' ALA . 34.8 m -147.21 124.64 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -68.13 121.02 15.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 m -107.84 115.29 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -102.71 130.38 49.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' A' ' 32' ' ' ARG . 3.4 m-85 -84.66 105.86 15.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -39.9 122.2 1.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.4 -63.27 1.17 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 70.7 m95 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.763 0.316 . . . . 0.0 110.931 -179.943 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.874 0.369 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -41.72 156.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -161.53 150.28 15.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.562 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 50.0 m95 -75.26 107.65 7.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.587 HG23 HD11 ' A' ' 66' ' ' ILE . 16.6 tt -111.95 146.63 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.118 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.577 ' O ' HD12 ' A' ' 66' ' ' ILE . 12.2 m-20 -69.23 125.34 26.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.729 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -62.59 -12.81 25.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -102.59 2.82 36.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.2 t -67.45 141.9 95.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.66 0.743 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -28.03 25.49 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.358 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.04 -36.16 80.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.735 HG23 HD13 ' A' ' 20' ' ' LEU . 97.0 mt -64.0 122.34 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 97.1 m-70 -123.96 142.99 41.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.553 0.692 . . . . 0.0 110.894 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.77 59.25 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.329 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.432 HG23 ' HA ' ' A' ' 20' ' ' LEU . 16.0 t -59.17 103.89 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.86 5.42 6.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.547 ' CH2' ' HB2' ' A' ' 77' ' ' HIS . 1.5 t90 -66.86 -16.19 64.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.755 0.312 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 21.3 p -61.88 -30.22 70.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 74' ' ' LYS . 21.3 m -83.96 -53.73 5.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 73' ' ' SER . 39.0 mtmt -35.2 -67.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.7 p -74.58 -42.76 58.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.51 30.66 3.72 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.547 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 5.0 m80 -102.13 144.62 28.95 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.639 0.733 . . . . 0.0 110.815 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 136.38 32.89 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.723 2.282 . . . . 0.0 112.33 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.1 tp -99.94 146.21 26.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -107.92 127.65 27.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.639 0.733 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 164.29 35.09 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.357 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.188 0 C-N-CA 122.713 2.275 . . . . 0.0 112.369 179.914 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.617 ' CE2' HG21 ' A' ' 66' ' ' ILE . 21.1 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -132.05 172.69 12.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -94.98 149.61 21.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt 69.33 27.83 4.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -115.0 -176.88 3.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.486 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 44.2 mmtm -122.01 150.23 42.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.918 HD11 HG22 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -165.66 141.07 5.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 67' ' ' HIS . 75.8 mt-10 -81.72 117.67 22.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.918 HG22 HD11 ' A' ' 20' ' ' LEU . 41.3 t -112.71 144.02 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.495 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 90.4 t -85.53 128.16 39.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 27' ' ' ASN . 12.4 t0 -67.58 113.1 5.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 7.9 mmmt -45.4 -55.47 6.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 26' ' ' ARG . 0.2 OUTLIER -63.52 -29.19 70.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 24' ' ' ASP . 28.8 m-20 -131.66 90.82 35.68 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.656 0.741 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.495 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.7 Cg_endo -69.75 -20.23 35.15 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.633 2.222 . . . . 0.0 112.342 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.9 ptp -89.2 14.84 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -135.98 129.32 31.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.722 ' O ' HD12 ' A' ' 79' ' ' LEU . 53.5 mt -127.11 134.61 65.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.153 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.7 mtt-85 -130.5 -176.03 3.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.486 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 96.6 t -85.82 143.39 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.413 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -132.52 145.09 50.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.3 m -116.82 113.57 22.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.8 t -60.47 102.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.96 -48.06 15.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -137.26 138.94 40.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.601 HG22 HG12 ' A' ' 44' ' ' VAL . 1.7 p -109.72 109.44 20.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 12.3 t0 -76.29 -174.69 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.1 -36.82 72.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -134.17 11.92 3.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.827 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' ASP . 11.9 mtt85 -146.18 172.02 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.601 HG12 HG22 ' A' ' 39' ' ' THR . 28.0 m -150.22 117.77 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -63.66 114.58 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.5 m -100.54 119.7 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 37.9 t60 -106.01 140.41 39.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.589 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 4.5 m-85 -95.57 105.0 16.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -43.46 124.83 3.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.75 -40.64 2.59 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.589 ' CD1' ' HB3' ' A' ' 48' ' ' PHE . 25.7 m95 . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 56' ' ' ASP . 98.1 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.828 0.346 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -34.69 130.19 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -144.1 156.01 44.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.571 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 52.3 m95 -80.51 104.97 11.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.537 HG23 HD11 ' A' ' 66' ' ' ILE . 17.1 tt -105.83 144.4 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.097 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.607 ' O ' HD12 ' A' ' 66' ' ' ILE . 3.9 m-20 -66.54 124.29 22.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.525 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -58.19 -29.29 65.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -93.63 16.73 13.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.2 t -72.53 142.03 83.49 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.647 0.737 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -27.68 26.14 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.644 2.229 . . . . 0.0 112.31 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.488 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 1.8 m-20 -68.75 -33.34 73.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.666 HG23 HD13 ' A' ' 20' ' ' LEU . 77.3 mt -63.56 125.51 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.516 ' HB3' ' CG ' ' A' ' 71' ' ' TRP . 92.2 m-70 -129.0 143.5 49.01 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.554 0.692 . . . . 0.0 110.897 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 152.62 69.15 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.474 HG21 ' HB2' ' A' ' 19' ' ' LYS . 15.2 t -45.03 -28.45 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.02 43.4 1.94 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.584 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 87.1 t90 -95.06 -53.86 3.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.735 0.302 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.4 p -39.41 -38.8 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 74' ' ' LYS . 22.9 t -76.44 -61.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 73' ' ' SER . 26.7 mtpt -38.24 -49.88 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.2 p -87.86 -47.51 8.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.48 34.35 3.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.579 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 6.5 m80 -101.65 150.12 37.03 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.612 0.72 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 134.99 29.43 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.722 HD12 ' O ' ' A' ' 31' ' ' ILE . 22.5 tp -107.82 139.93 41.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -100.36 128.23 30.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 152.59 69.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.26 . . . . 0.0 112.402 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.325 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.519 ' HE2' HD22 ' A' ' 20' ' ' LEU . 10.5 m-85 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.857 0.36 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -136.05 161.98 34.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -83.44 148.69 27.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.8 mttt 64.91 34.38 9.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.425 ' HE2' HG21 ' A' ' 36' ' ' VAL . 10.9 ptt? -117.3 -179.03 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 32.4 mmtm -121.6 140.5 52.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.691 HD11 ' CG2' ' A' ' 22' ' ' VAL . 0.4 OUTLIER -157.25 141.93 16.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.46 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 88.0 mt-10 -81.83 122.2 27.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.691 ' CG2' HD11 ' A' ' 20' ' ' LEU . 44.7 t -114.99 141.88 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.513 HG22 HG12 ' A' ' 31' ' ' ILE . 78.0 t -84.99 116.01 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' ASN . 13.4 t0 -52.75 109.06 0.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 1.4 mmmm -42.08 -58.09 2.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -60.44 -33.73 72.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 24' ' ' ASP . 17.1 m-80 -124.17 92.16 48.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.655 0.741 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.464 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.7 Cg_endo -69.7 -15.34 37.25 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.588 ' HG3' ' CD1' ' A' ' 30' ' ' PHE . 18.5 ptp -95.51 14.15 23.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.588 ' CD1' ' HG3' ' A' ' 29' ' ' MET . 44.0 m-85 -135.03 130.38 35.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.529 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 36.6 mt -127.55 141.2 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 -142.26 164.12 31.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.466 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 91.6 t -67.82 145.54 13.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.409 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -131.31 170.03 15.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.06 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.6 m -138.38 116.27 11.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.425 HG21 ' HE2' ' A' ' 18' ' ' MET . 16.3 t -67.55 103.19 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.08 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.87 -35.4 32.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -150.85 140.45 21.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.569 HG22 HG12 ' A' ' 44' ' ' VAL . 12.3 p -107.34 109.35 21.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.574 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 16.2 t70 -83.13 176.45 9.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -42.1 -66.24 0.37 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -123.59 27.95 7.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 40' ' ' ASP . 15.4 mtt85 -146.08 165.55 28.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.569 HG12 HG22 ' A' ' 39' ' ' THR . 27.1 m -146.01 119.05 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.409 ' NZ ' ' CD1' ' A' ' 58' ' ' TRP . 13.2 tttp -64.9 112.18 3.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 46' ' ' VAL . 10.2 m -99.84 114.08 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.131 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -103.9 127.75 51.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -81.77 103.77 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -38.98 124.17 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.93 -49.89 1.75 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 21.1 m95 . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.774 0.321 . . . . 0.0 110.904 -179.886 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 56' ' ' ASP . 11.6 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.876 0.369 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 1.0 OUTLIER -35.38 149.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -156.77 152.65 27.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.574 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 54.8 m95 -79.24 105.13 10.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.976 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.831 HG23 HD11 ' A' ' 66' ' ' ILE . 15.8 tt -108.21 140.2 27.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.162 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.654 ' O ' HD12 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -64.8 121.38 14.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.856 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.513 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -57.12 -18.25 14.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.103 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -95.28 -12.97 25.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.815 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.2 t -48.08 135.78 11.55 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.88 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -11.44 30.86 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.332 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.503 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -81.49 -25.94 35.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.878 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.831 HD11 HG23 ' A' ' 59' ' ' ILE . 86.0 mt -74.65 129.78 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 95.7 m-70 -129.07 141.64 42.45 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.541 0.686 . . . . 0.0 110.896 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 165.05 32.3 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.685 2.257 . . . . 0.0 112.32 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.416 ' O ' HG12 ' A' ' 69' ' ' VAL . 15.9 t -64.91 100.88 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 125.49 14.71 3.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.541 ' CD2' ' O ' ' A' ' 71' ' ' TRP . 0.9 OUTLIER -77.16 -12.03 59.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.752 0.31 . . . . 0.0 110.925 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.1 p -65.68 -29.5 70.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 74' ' ' LYS . 68.5 m -80.41 -51.29 9.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 73' ' ' SER . 41.0 mtpt -34.71 -66.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.8 p -81.78 -45.12 16.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 111.64 34.25 2.1 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.496 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 3.1 m80 -97.57 143.64 26.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.641 0.734 . . . . 0.0 110.811 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 133.25 25.1 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.2 tp -99.46 138.01 37.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -101.72 125.34 37.52 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 149.37 66.62 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.376 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.324 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 p 40.82 42.52 1.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.853 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -122.18 95.01 4.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.73 -142.67 13.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.478 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -157.11 153.82 28.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.364 . . . . 0.0 110.887 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.6 p -158.44 106.41 1.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.82 135.44 12.53 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.517 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.3 m -148.89 169.13 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.939 0.4 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -113.66 143.86 30.29 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.559 0.695 . . . . 0.0 110.909 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 148.32 64.5 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.664 2.242 . . . . 0.0 112.351 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -49.62 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.7 2.266 . . . . 0.0 112.345 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.523 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 1.2 p80 -124.04 -43.68 2.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.83 27.23 0.73 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.537 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.523 ' HB2' ' CE1' ' A' ' 12' ' ' HIS . 13.2 m-85 -125.64 160.68 29.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -129.68 169.3 15.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.6 ' HG3' HG23 ' A' ' 39' ' ' THR . 14.9 mtmt -97.18 157.26 16.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt 64.79 27.41 12.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.464 ' CE ' HG21 ' A' ' 36' ' ' VAL . 12.7 ptt? -116.06 -176.77 3.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.479 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 42.4 mmtm -120.27 152.27 38.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.871 HD11 HG22 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -167.48 143.33 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -82.54 116.12 21.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.871 HG22 HD11 ' A' ' 20' ' ' LEU . 48.1 t -109.33 141.27 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.603 HG22 HG12 ' A' ' 31' ' ' ILE . 79.3 t -86.2 117.94 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.534 ' OD2' ' ND2' ' A' ' 27' ' ' ASN . 10.3 t0 -51.58 110.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 12.1 mmmt -44.45 -58.16 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.42 ' CD ' ' H ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -58.57 -29.23 66.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.534 ' ND2' ' OD2' ' A' ' 24' ' ' ASP . 5.7 m-20 -129.66 93.47 34.75 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.63 0.728 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.47 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.6 Cg_endo -69.84 -6.5 18.77 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.316 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 21.9 mmt -103.68 11.56 35.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -132.42 133.95 44.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.603 HG12 HG22 ' A' ' 23' ' ' VAL . 25.6 mt -129.0 143.65 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 45.0 mtt-85 -143.84 167.79 21.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.479 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 74.4 t -68.27 152.14 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -140.49 166.32 25.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.2 m -135.52 113.24 10.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.464 HG21 ' CE ' ' A' ' 18' ' ' MET . 21.5 t -64.69 103.26 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.88 -51.96 8.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -138.96 134.36 33.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.6 HG23 ' HG3' ' A' ' 16' ' ' LYS . 72.8 p -105.98 112.56 25.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.408 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 10.4 t0 -83.28 -178.39 7.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -47.26 -57.1 5.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -130.98 30.56 4.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -147.93 172.58 13.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.523 HG13 ' HB2' ' A' ' 61' ' ' ALA . 35.3 m -155.68 122.4 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -70.03 102.99 2.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.6 m -87.33 116.34 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -104.18 121.07 42.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -79.29 106.83 11.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -39.33 116.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.85 -65.44 0.61 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 53.1 m95 -41.71 125.53 2.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.758 0.314 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 53' ' ' ASN . 11.1 t-20 -38.09 126.72 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 54' ' ' CYS . 8.1 m-20 -36.54 -46.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 53' ' ' ASN . 37.3 t -37.01 -46.47 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.429 ' O ' ' C ' ' A' ' 56' ' ' ASP . 14.4 m-85 -51.55 -45.23 62.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 55' ' ' TYR . 15.5 m-20 -35.72 144.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -151.57 156.39 40.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.408 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 55.5 m95 -81.99 105.17 12.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.816 HG23 HD11 ' A' ' 66' ' ' ILE . 14.7 tt -108.89 143.05 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.548 ' O ' HD12 ' A' ' 66' ' ' ILE . 7.5 m-20 -66.68 123.96 21.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.523 ' HB2' HG13 ' A' ' 44' ' ' VAL . . . -61.85 -17.09 55.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -100.38 6.33 44.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.2 t -66.2 141.9 97.59 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.671 0.748 . . . . 0.0 110.824 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -21.77 32.79 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.15 -34.81 66.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.816 HD11 HG23 ' A' ' 59' ' ' ILE . 29.0 mt -65.73 127.48 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.481 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 97.9 m-70 -128.89 143.23 47.85 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.622 0.725 . . . . 0.0 110.889 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 163.02 39.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.245 . . . . 0.0 112.311 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.3 t -62.89 103.75 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.63 6.98 6.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.451 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.59 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 1.8 t90 -68.07 -12.64 61.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.745 0.307 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.2 p -67.46 -32.25 72.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.7 m -81.85 -50.9 8.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -39.68 -62.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.0 p -80.43 -32.99 37.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.79 31.34 7.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.404 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 6.7 m-70 -100.78 143.3 26.31 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.577 0.703 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 139.77 40.98 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.644 2.229 . . . . 0.0 112.346 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.7 tp -104.61 144.67 31.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -105.14 134.78 19.48 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.575 0.702 . . . . 0.0 110.943 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 151.08 68.88 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.64 2.227 . . . . 0.0 112.346 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -169.99 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.676 2.251 . . . . 0.0 112.384 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.438 ' HA ' HD23 ' A' ' 83' ' ' LEU . 11.0 mt -62.1 163.93 7.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.9 m -68.7 158.78 84.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.638 0.732 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 2.96 3.09 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.627 2.218 . . . . 0.0 112.358 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -120.03 -14.44 8.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -79.69 -14.55 58.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.408 HD23 ' H ' ' A' ' 88' ' ' LEU . 1.0 OUTLIER -96.66 -5.0 39.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 64.2 ttp -78.26 92.37 4.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -102.05 166.23 10.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 56.85 42.93 25.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.7 t -111.27 94.29 4.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -100.81 118.43 36.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -106.88 104.09 13.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.47 84.52 0.62 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -169.22 152.57 20.24 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.472 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 30.3 p -66.92 159.91 27.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 110.907 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.5 m -135.02 162.6 32.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.8 t -103.91 141.35 22.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.574 0.702 . . . . 0.0 111.12 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 134.82 28.89 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.71 2.273 . . . . 0.0 112.344 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -107.01 61.56 0.32 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.522 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.9 m -157.9 148.76 20.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 110.901 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 152.99 83.81 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.445 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 174.5 9.42 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 86.1 p -134.86 136.98 42.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.815 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.8 t -161.37 155.21 22.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.9 p -164.05 137.94 5.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.888 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 m -105.28 174.62 5.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.4 -57.36 3.39 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.4 p -88.78 152.95 21.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.37 . . . . 0.0 110.855 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 t -119.04 129.25 55.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.42 97.87 0.17 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.2 p -169.55 139.99 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.36 . . . . 0.0 111.149 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -99.65 143.94 27.39 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.605 0.717 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 162.97 40.02 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.688 2.259 . . . . 0.0 112.307 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -47.59 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.682 2.255 . . . . 0.0 112.332 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.512 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 0.9 OUTLIER -125.0 -39.81 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 122.5 31.07 1.09 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.512 ' HB2' ' CE1' ' A' ' 12' ' ' HIS . 4.1 m-85 -120.54 177.82 4.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -149.18 162.76 39.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -90.49 147.42 23.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt 70.12 25.22 4.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.478 ' CE ' HG21 ' A' ' 36' ' ' VAL . 11.0 ptt? -110.27 177.07 4.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.408 ' O ' HG23 ' A' ' 69' ' ' VAL . 30.6 mmtm -117.18 153.41 32.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.76 HD13 HG23 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -167.64 140.76 3.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.983 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 67' ' ' HIS . 95.1 mt-10 -81.44 117.56 21.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.714 HG22 HD11 ' A' ' 20' ' ' LEU . 93.7 t -110.55 142.12 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.659 HG22 HG12 ' A' ' 31' ' ' ILE . 93.4 t -86.51 118.64 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.175 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' ASN . 8.8 t0 -51.38 108.45 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 2.1 mmmm -42.1 -57.23 2.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -61.93 -33.89 75.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' ASP . 22.2 m-20 -121.85 91.59 48.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.588 0.709 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.417 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.7 Cg_endo -69.75 -7.98 22.43 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.646 2.231 . . . . 0.0 112.39 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.5 ptp -101.9 11.51 38.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -135.78 133.15 37.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.659 HG12 HG22 ' A' ' 23' ' ' VAL . 27.4 mt -127.26 144.25 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.4 mtt85 -141.65 162.16 36.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.84 146.56 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.409 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -132.68 164.1 27.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.4 m -130.76 114.62 15.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.478 HG21 ' CE ' ' A' ' 18' ' ' MET . 17.7 t -65.66 104.59 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.4 -39.3 17.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -147.88 137.5 22.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.0 p -111.58 111.49 22.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.535 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 6.5 t0 -81.9 -178.66 7.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -46.47 -56.11 6.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -131.94 28.87 4.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 40' ' ' ASP . 18.1 mtm180 -145.5 170.36 16.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 44' ' ' VAL . 34.0 m -154.05 122.9 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -70.66 107.19 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.475 HG12 HD21 ' A' ' 20' ' ' LEU . 10.7 m -93.23 113.03 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.455 ' CD2' ' C ' ' A' ' 47' ' ' HIS . 2.7 t60 -99.97 126.69 46.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.532 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 3.1 m-85 -82.23 102.49 11.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -37.83 130.99 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.27 -45.79 3.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.455 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.573 ' CG ' HD12 ' A' ' 83' ' ' LEU . 75.6 m95 -63.62 132.56 51.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.799 0.333 . . . . 0.0 110.921 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -42.88 127.33 4.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.436 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 4.2 t-20 -39.41 -36.27 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 19.9 m -51.64 -46.32 63.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -49.85 -36.53 27.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 3.7 m-20 -44.27 161.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -163.94 149.27 10.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.535 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 44.3 m95 -76.84 106.54 8.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.649 HG23 HD11 ' A' ' 66' ' ' ILE . 16.8 tt -109.11 144.5 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.639 ' O ' HD12 ' A' ' 66' ' ' ILE . 6.2 m-20 -68.71 127.36 32.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.433 ' HB1' ' CE1' ' A' ' 14' ' ' PHE . . . -62.1 -20.8 64.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -93.83 -5.5 47.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.9 t -56.65 138.8 76.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.664 0.745 . . . . 0.0 110.868 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -24.31 29.83 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.657 2.238 . . . . 0.0 112.317 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.43 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -68.03 -31.23 70.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.76 HG23 HD13 ' A' ' 20' ' ' LEU . 62.3 mt -66.55 127.56 28.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.474 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 89.0 m-70 -129.04 140.2 37.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.54 0.686 . . . . 0.0 110.883 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 157.37 60.58 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.325 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 19' ' ' LYS . 95.5 t -58.34 102.85 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 122.83 12.72 4.83 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.597 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 0.6 OUTLIER -75.17 -22.83 57.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.749 0.309 . . . . 0.0 110.967 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.441 ' HA ' ' CE3' ' A' ' 71' ' ' TRP . 30.5 p -60.85 -31.65 71.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 75' ' ' THR . 74.9 m -83.55 -66.22 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.462 ' CD ' ' HA ' ' A' ' 71' ' ' TRP . 3.4 ptmm? -33.72 -34.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 73' ' ' SER . 44.6 p -99.87 -46.88 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 109.73 18.06 9.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.533 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 2.2 m80 -89.81 145.42 33.32 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.599 0.714 . . . . 0.0 110.844 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 136.78 33.83 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.7 tp -109.22 137.25 47.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -100.61 135.36 20.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.589 0.709 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 154.72 67.26 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.272 . . . . 0.0 112.337 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -170.13 0.37 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.68 2.253 . . . . 0.0 112.363 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.871 HD22 ' HG3' ' A' ' 87' ' ' GLU . 2.0 mt -85.65 -178.15 6.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 m -88.54 160.98 43.65 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.647 0.737 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -5.18 15.59 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.692 2.261 . . . . 0.0 112.354 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 pp -84.06 -37.17 22.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.871 ' HG3' HD22 ' A' ' 83' ' ' LEU . 33.6 mm-40 -55.36 -36.87 66.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 89' ' ' MET . 11.8 mt -51.39 -38.59 54.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' LEU . 36.7 ttm -37.72 153.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -95.01 161.48 14.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.67 174.46 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.6 m -152.48 156.31 39.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.2 134.71 35.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -161.47 135.15 6.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.72 137.85 6.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.478 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 126.7 -66.27 0.56 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.491 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 50.3 m -76.77 88.8 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.7 m -148.54 125.58 11.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 38.0 p -77.89 141.65 63.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.588 0.709 . . . . 0.0 111.172 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 122.83 9.52 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -129.97 -78.56 0.2 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -98.76 125.59 44.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.406 ' HA3' ' HD2' ' A' ' 104' ' ' PRO . . . 129.04 -149.91 18.66 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.507 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.406 ' HD2' ' HA3' ' A' ' 103' ' ' GLY . 54.2 Cg_endo -69.72 -174.65 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.715 2.276 . . . . 0.0 112.35 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.4 t -142.61 156.88 45.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.7 t -87.79 148.27 24.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.6 m -116.45 95.95 5.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.36 . . . . 0.0 110.845 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -63.15 -51.01 68.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.28 159.49 8.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 m -121.46 102.41 8.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.875 0.369 . . . . 0.0 110.834 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 m -157.97 123.76 4.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.06 -64.92 0.52 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.51 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.5 m -71.52 173.68 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 111.161 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -146.93 145.21 21.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.579 0.704 . . . . 0.0 110.928 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.405 ' HA ' ' HD2' ' A' ' 11' ' ' PRO . 53.6 Cg_endo -69.77 110.56 2.58 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 10' ' ' PRO . 53.7 Cg_endo -69.8 -43.6 2.54 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.329 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.456 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 1.3 p80 -127.06 -42.37 1.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.51 29.54 0.64 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.529 ' CE2' HG21 ' A' ' 66' ' ' ILE . 9.4 m-85 -133.0 158.13 43.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 110.881 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -128.22 172.18 11.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.492 ' HG3' HG23 ' A' ' 39' ' ' THR . 5.8 mtpm? -98.92 150.64 21.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt 69.84 26.57 4.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.5 ptt? -113.15 -177.0 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.46 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 33.0 mmtm -121.43 151.57 40.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.882 HD11 HG22 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -166.68 141.61 4.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 67' ' ' HIS . 65.1 mt-10 -81.53 112.55 18.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.882 HG22 HD11 ' A' ' 20' ' ' LEU . 61.2 t -105.33 152.79 7.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.594 HG22 HG12 ' A' ' 31' ' ' ILE . 93.5 t -98.69 117.76 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 27' ' ' ASN . 22.3 t0 -54.88 108.04 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 5.6 mmmt -41.99 -54.52 3.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -63.85 -29.06 70.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' ASP . 16.3 m-80 -129.64 92.04 38.9 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.645 0.736 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.497 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 54.3 Cg_endo -69.77 -18.72 36.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.578 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 11.5 ptp -92.74 15.42 14.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.578 ' CE1' ' HG3' ' A' ' 29' ' ' MET . 72.8 m-85 -136.04 124.52 23.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.723 ' O ' HD12 ' A' ' 79' ' ' LEU . 56.6 mt -125.41 133.22 69.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -132.23 174.21 10.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.46 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 85.4 t -75.41 142.49 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -127.21 166.02 18.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.1 m -137.15 108.92 7.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.125 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 t -62.98 102.58 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.0 -48.68 13.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -139.25 142.89 37.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.63 HG22 HG12 ' A' ' 44' ' ' VAL . 44.0 p -114.15 119.96 38.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.429 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 3.0 t70 -93.1 -176.77 4.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.464 ' HB3' ' CE1' ' A' ' 42' ' ' HIS . 7.4 m-20 -47.62 -57.44 5.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.464 ' CE1' ' HB3' ' A' ' 41' ' ' ASP . 1.0 OUTLIER -131.59 32.62 4.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.478 ' O ' HG13 ' A' ' 44' ' ' VAL . 26.7 mtm180 -147.75 173.2 13.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.63 HG12 HG22 ' A' ' 39' ' ' THR . 29.2 m -158.94 117.49 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -66.78 106.79 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.1 m -93.4 119.63 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.407 ' CD2' ' C ' ' A' ' 47' ' ' HIS . 4.8 t60 -106.08 117.9 35.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -76.09 107.17 8.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -44.01 128.79 5.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.66 -43.32 2.88 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -61.8 148.84 41.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.737 0.303 . . . . 0.0 110.958 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -60.24 132.66 54.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -42.03 -38.39 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 49.5 t -48.28 -44.37 33.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.415 ' O ' ' C ' ' A' ' 56' ' ' ASP . 57.6 m-85 -52.63 -44.13 65.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 55' ' ' TYR . 4.6 m-20 -37.12 139.82 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -152.2 152.49 32.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.429 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 46.4 m95 -77.07 106.48 8.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.772 HG23 HD11 ' A' ' 66' ' ' ILE . 17.2 tt -109.46 141.28 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.705 ' O ' HD12 ' A' ' 66' ' ' ILE . 62.0 m-20 -61.72 129.0 38.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.517 ' O ' ' CE1' ' A' ' 14' ' ' PHE . . . -63.77 -23.01 67.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.081 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -100.95 18.36 19.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 t -74.18 141.97 78.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.672 0.749 . . . . 0.0 110.859 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 -21.32 34.16 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.391 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.03 -34.49 64.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.864 HG23 HD13 ' A' ' 20' ' ' LEU . 81.5 mt -66.91 126.72 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 21' ' ' GLU . 95.5 m-70 -129.03 143.23 47.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.552 0.691 . . . . 0.0 110.882 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 161.9 44.14 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.716 2.278 . . . . 0.0 112.361 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.0 t -61.97 102.72 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.32 11.29 4.71 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.578 ' CZ3' ' HB2' ' A' ' 77' ' ' HIS . 1.6 t90 -71.5 -14.29 62.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.713 0.292 . . . . 0.0 110.875 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 31.6 p -67.22 -34.25 77.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.7 t -77.03 -47.8 19.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -43.56 -68.62 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.9 p -74.12 -50.97 17.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.28 35.12 1.51 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 4.5 m80 -101.47 143.63 26.97 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.585 0.707 . . . . 0.0 110.825 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 136.52 33.25 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.723 HD12 ' O ' ' A' ' 31' ' ' ILE . 18.6 tp -104.89 144.67 31.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -107.48 130.8 22.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.64 0.733 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 153.5 69.18 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.688 2.259 . . . . 0.0 112.418 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -175.24 1.09 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.61 161.64 9.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.7 m -62.39 153.82 74.62 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.616 0.722 . . . . 0.0 110.851 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.518 ' HA ' ' CD1' ' A' ' 88' ' ' LEU . 54.1 Cg_endo -69.79 -1.86 9.21 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.701 2.268 . . . . 0.0 112.336 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.429 ' C ' HD12 ' A' ' 86' ' ' LEU . 3.6 pp -90.21 -30.6 17.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 88' ' ' LEU . 4.9 mm-40 -59.11 -60.57 3.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.671 ' H ' HD12 ' A' ' 88' ' ' LEU . 3.2 mp -34.59 -48.36 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 88' ' ' LEU . 10.6 tpp -35.24 -50.93 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.93 99.16 6.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -125.55 171.96 10.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.08 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.7 t -91.57 53.19 2.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -79.02 153.29 30.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -107.49 161.6 14.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 99.45 -141.46 15.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 171.09 123.34 0.69 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 45.0 t -52.04 147.57 7.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.848 0.356 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.7 m -91.67 144.97 24.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 33.9 p -110.92 81.24 2.53 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.59 0.71 . . . . 0.0 111.148 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -43.39 2.68 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.308 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.72 -176.75 33.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.5 t -91.82 155.0 18.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.88 0.371 . . . . 0.0 110.876 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -98.05 144.53 17.32 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.487 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 177.89 5.1 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 35.6 m -126.94 110.6 13.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.7 m -38.43 -61.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.827 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.487 -179.95 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t -124.1 146.23 48.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.855 0.36 . . . . 0.0 110.901 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -67.78 -49.73 60.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.69 117.79 4.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.516 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 m -111.51 127.84 55.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.905 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.9 t -166.88 140.45 3.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.9 111.34 3.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.466 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.509 HG22 ' N ' ' A' ' 9' ' ' LYS . 7.4 p -138.2 158.4 32.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.889 0.376 . . . . 0.0 111.141 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.509 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -141.04 154.49 68.26 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.561 0.696 . . . . 0.0 110.91 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.453 ' C ' ' HD2' ' A' ' 9' ' ' LYS . 53.0 Cg_endo -69.82 110.23 2.52 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.309 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.445 ' HD2' ' HA ' ' A' ' 10' ' ' PRO . 53.5 Cg_endo -69.78 -39.99 5.82 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.649 2.233 . . . . 0.0 112.346 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.47 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 1.3 p80 -128.91 -43.12 1.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.32 36.34 0.38 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.505 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.725 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 26.3 m-85 -134.41 147.98 50.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.322 . . . . 0.0 110.905 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -117.14 167.85 10.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.64 ' HG3' HG23 ' A' ' 39' ' ' THR . 5.7 mtpm? -97.46 152.72 18.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt 69.55 25.51 5.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.412 ' CE ' HG21 ' A' ' 36' ' ' VAL . 19.1 ptt? -111.75 -179.83 3.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.592 ' O ' HG23 ' A' ' 69' ' ' VAL . 44.2 mmtt -118.75 142.08 48.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.858 HD11 HG22 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -158.21 140.93 14.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 67' ' ' HIS . 91.1 mt-10 -81.33 115.27 20.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.858 HG22 HD11 ' A' ' 20' ' ' LEU . 58.1 t -108.23 140.23 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.475 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 85.6 t -82.0 117.59 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -53.34 118.04 3.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 13.9 mmmt -53.71 -51.98 61.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.474 ' HD2' ' N ' ' A' ' 26' ' ' ARG . 8.7 mmm-85 -60.09 -36.27 77.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -132.04 94.44 24.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.621 0.724 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.475 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 54.1 Cg_endo -69.72 -5.14 15.46 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.727 2.285 . . . . 0.0 112.354 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -96.72 9.12 42.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -133.18 135.94 45.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.693 HD13 ' CZ3' ' A' ' 71' ' ' TRP . 23.8 mt -129.2 135.43 61.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.097 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -133.14 -179.93 5.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.8 t -84.24 142.27 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 20' ' ' LEU . . . -125.46 174.05 8.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.9 m -145.79 109.54 4.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.412 HG21 ' CE ' ' A' ' 18' ' ' MET . 33.0 t -59.75 108.91 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.02 -42.7 12.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -147.59 131.11 16.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.64 HG23 ' HG3' ' A' ' 16' ' ' LYS . 69.9 p -104.47 114.44 28.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.483 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 6.3 t70 -87.94 -175.85 5.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -45.99 -64.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -125.75 33.63 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -150.14 169.1 22.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 44' ' ' VAL . 34.3 m -155.57 124.19 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 tttt -69.65 109.86 4.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.451 HG12 HD21 ' A' ' 20' ' ' LEU . 15.1 m -98.1 113.33 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.087 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -99.9 133.83 43.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.427 ' CZ ' ' HB ' ' A' ' 22' ' ' VAL . 4.7 m-85 -91.38 101.01 13.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -41.02 124.58 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.31 -59.14 0.57 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.511 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.513 ' CD1' HD23 ' A' ' 83' ' ' LEU . 62.4 m95 -53.19 167.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.758 0.313 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -74.99 131.99 41.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.922 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 2.7 p30 -47.24 -31.21 3.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.5 m -53.13 -38.48 62.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.448 ' O ' ' C ' ' A' ' 56' ' ' ASP . 12.3 m-85 -60.49 -37.84 82.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 55' ' ' TYR . 13.5 m-20 -34.3 147.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -156.87 145.17 19.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.483 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 60.1 m95 -75.56 104.99 6.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.811 HG23 HD11 ' A' ' 66' ' ' ILE . 16.1 tt -105.26 147.38 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.732 ' O ' HD12 ' A' ' 66' ' ' ILE . 55.5 m-20 -70.31 122.04 18.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.838 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.725 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -57.34 -23.57 49.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -96.27 12.04 32.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.3 t -71.47 142.39 86.5 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.68 0.752 . . . . 0.0 110.832 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -22.39 32.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.37 -35.02 63.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.811 HD11 HG23 ' A' ' 59' ' ' ILE . 53.1 mt -62.23 119.85 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 21' ' ' GLU . 31.2 m80 -124.03 143.64 42.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.554 0.692 . . . . 0.0 110.871 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 164.38 34.81 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.331 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 19' ' ' LYS . 18.5 t -55.72 -23.38 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -101.49 42.05 2.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.706 ' NE1' HG21 ' A' ' 75' ' ' THR . 84.1 t90 -94.1 -43.4 8.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.338 . . . . 0.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.6 p -53.06 -37.52 61.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.3 m -78.5 -52.29 8.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -49.97 -59.72 3.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.706 HG21 ' NE1' ' A' ' 71' ' ' TRP . 1.5 p -78.59 -23.06 46.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.35 30.75 48.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.475 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.587 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 4.7 m80 -96.94 149.96 36.31 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.601 0.715 . . . . 0.0 110.837 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 143.99 52.74 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 31' ' ' ILE . 24.3 tp -115.7 151.76 34.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -115.17 134.32 22.56 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.596 0.712 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 150.54 68.17 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.342 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 176.52 6.65 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.691 2.261 . . . . 0.0 112.329 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.513 HD23 ' CD1' ' A' ' 51' ' ' TRP . 2.5 mm? -50.5 164.04 0.15 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -76.45 156.92 83.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.659 0.743 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 0.09 6.17 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.716 2.278 . . . . 0.0 112.296 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.423 ' C ' HD12 ' A' ' 86' ' ' LEU . 3.4 pp -94.95 -30.84 13.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.5 ' HG3' HD12 ' A' ' 83' ' ' LEU . 18.6 mm-40 -60.0 -50.0 75.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.752 ' H ' HD12 ' A' ' 88' ' ' LEU . 2.4 mp -59.85 -59.45 5.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.5 ppp? -60.87 165.26 4.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.5 pm0 -95.33 152.31 18.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -123.62 170.38 10.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.0 t 39.6 40.22 0.6 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -109.7 117.02 32.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -63.26 130.06 42.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 163.27 69.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.424 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -92.93 133.41 11.7 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.508 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 45.5 t -72.54 141.7 48.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.7 p -110.79 134.11 52.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 31.5 p -107.4 145.12 30.58 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.572 0.701 . . . . 0.0 111.141 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -177.14 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.267 . . . . 0.0 112.349 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -132.85 -153.44 7.23 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.6 p -118.36 159.62 23.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.909 0.385 . . . . 0.0 110.837 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -96.23 -158.45 31.89 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.464 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -179.17 2.73 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.731 2.287 . . . . 0.0 112.277 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.2 t -113.41 -63.03 1.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.9 t -136.47 162.88 31.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.829 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.476 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 54.98 42.15 31.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -54.36 144.49 20.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.7 -105.86 1.98 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.453 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -123.09 91.64 3.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.366 . . . . 0.0 110.835 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.6 t -110.64 105.22 14.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.0 -50.23 3.88 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.8 p -73.56 139.61 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.363 . . . . 0.0 111.139 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -117.93 151.46 48.89 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.594 0.711 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 149.08 66.6 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.742 2.294 . . . . 0.0 112.324 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -41.54 4.15 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -121.29 -22.22 6.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.14 -51.78 0.77 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.492 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.834 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 54.2 m-85 -44.25 147.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 110.855 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -116.51 171.62 7.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.572 ' HG3' HG23 ' A' ' 39' ' ' THR . 6.6 mtpm? -100.47 162.36 12.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.2 mtpt 60.6 25.92 15.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 18.3 ptt? -114.26 -175.86 2.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.415 ' C ' HG23 ' A' ' 69' ' ' VAL . 32.2 mmtm -119.65 148.26 43.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.681 HD11 ' CG2' ' A' ' 22' ' ' VAL . 0.4 OUTLIER -163.42 145.48 9.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 67' ' ' HIS . 68.0 mt-10 -85.61 119.39 25.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.681 ' CG2' HD11 ' A' ' 20' ' ' LEU . 70.7 t -113.74 137.06 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.0 t -80.31 122.2 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' ASN . 17.2 t0 -64.79 116.46 6.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 4.5 mmmt -48.05 -58.92 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -57.95 -32.91 68.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.42 ' HA ' ' HD2' ' A' ' 28' ' ' PRO . 34.5 m120 -129.53 91.29 41.46 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.629 0.728 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 27' ' ' ASN . 53.7 Cg_endo -69.71 -21.08 34.22 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.9 mtt -88.76 14.17 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -134.14 125.59 28.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.509 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 46.3 mt -123.57 136.01 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -133.2 -179.65 5.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.2 t -84.92 145.43 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.122 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.463 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -130.73 159.38 37.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.0 m -126.73 108.55 11.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.7 t -59.45 105.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.85 -47.75 12.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -142.24 136.14 29.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.572 HG23 ' HG3' ' A' ' 16' ' ' LYS . 58.7 p -107.57 110.83 22.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.416 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 11.6 t0 -81.41 -175.51 5.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -50.24 -57.11 8.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -130.52 28.16 4.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.8 mtm-85 -145.32 168.9 19.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 44' ' ' VAL . 35.2 m -153.05 121.45 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -69.05 108.71 3.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.48 HG12 HD21 ' A' ' 20' ' ' LEU . 16.2 m -95.82 115.51 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.136 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.452 ' CD2' ' C ' ' A' ' 47' ' ' HIS . 3.0 t60 -103.0 132.26 49.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -87.18 103.12 15.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -44.74 106.87 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.42 -45.02 1.31 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.439 ' CD1' HD23 ' A' ' 83' ' ' LEU . 10.9 m0 -70.86 138.12 49.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.766 0.317 . . . . 0.0 110.943 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 53' ' ' ASN . 2.4 t30 -47.76 138.65 8.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.858 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 52' ' ' ASN . 39.2 m-20 -37.28 -54.0 1.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.855 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 53' ' ' ASN . 76.8 m -35.94 -58.35 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' A' ' 54' ' ' CYS . 26.4 m-85 -36.59 -49.04 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 0.7 OUTLIER -43.06 157.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -159.9 159.69 32.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.416 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 44.4 m95 -83.37 105.82 14.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.735 HG23 HD11 ' A' ' 66' ' ' ILE . 15.8 tt -109.17 142.38 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.607 ' O ' HD12 ' A' ' 66' ' ' ILE . 7.6 m-20 -69.04 125.44 26.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.834 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -57.82 -27.6 63.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.062 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -88.61 1.9 54.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.8 t -61.71 141.0 95.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.699 0.762 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -26.93 26.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.706 2.271 . . . . 0.0 112.311 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.77 -30.0 67.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.836 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.735 HD11 HG23 ' A' ' 59' ' ' ILE . 27.5 mt -65.67 122.93 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 21' ' ' GLU . 27.1 m80 -128.95 143.82 50.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.581 0.705 . . . . 0.0 110.843 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 158.91 55.3 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.701 2.267 . . . . 0.0 112.322 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.415 HG23 ' C ' ' A' ' 19' ' ' LYS . 15.5 t -51.34 -22.5 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -102.73 42.93 1.78 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.498 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.526 ' CZ3' ' HB2' ' A' ' 77' ' ' HIS . 88.3 t90 -93.81 -50.51 5.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.32 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.1 p -41.35 -36.85 0.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 74' ' ' LYS . 4.9 p -74.92 -62.85 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 73' ' ' SER . 5.9 mtpm? -34.72 -62.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.7 p -75.99 -47.73 23.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.19 29.44 4.27 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.526 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 3.8 m80 -97.82 146.39 31.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.596 0.712 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 135.63 31.01 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.718 2.278 . . . . 0.0 112.349 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.468 HD12 ' O ' ' A' ' 31' ' ' ILE . 32.9 tp -100.14 144.53 29.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -106.32 126.88 29.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.555 0.693 . . . . 0.0 110.949 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 149.29 66.88 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -179.56 3.0 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.309 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.439 HD23 ' CD1' ' A' ' 51' ' ' TRP . 4.3 mm? -58.48 163.92 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.5 m -57.88 159.8 9.57 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -4.84 14.81 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.719 2.279 . . . . 0.0 112.35 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.473 ' C ' HD12 ' A' ' 86' ' ' LEU . 3.5 pp -84.76 -21.95 29.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -81.22 -62.18 1.73 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.49 HD12 ' N ' ' A' ' 89' ' ' MET . 4.1 pp -53.39 -38.25 63.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.49 ' N ' HD12 ' A' ' 88' ' ' LEU . 36.7 ttp -69.09 -47.07 66.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -77.22 86.88 3.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 92' ' ' SER . . . -174.58 135.5 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 91' ' ' ALA . 23.5 t -35.39 140.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -122.15 135.38 54.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.416 ' CG ' ' N ' ' A' ' 95' ' ' GLY . 50.2 t-80 -66.25 168.86 7.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.416 ' N ' ' CG ' ' A' ' 94' ' ' HIS . . . 174.01 137.2 2.38 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.477 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -154.69 -173.18 23.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 29.9 p -67.54 135.58 53.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 73.9 m -115.37 166.03 12.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.826 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 41.7 p -117.88 139.22 26.2 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.581 0.705 . . . . 0.0 111.13 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 163.24 39.02 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.662 2.241 . . . . 0.0 112.344 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -72.58 -149.29 0.97 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 63.8 p -152.89 161.87 42.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.902 0.382 . . . . 0.0 110.845 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.32 84.0 0.29 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -43.54 2.59 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.305 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 106' ' ' SER . 14.8 p 39.38 54.62 2.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 105' ' ' SER . 57.0 p 35.43 42.41 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 m -86.29 163.88 17.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.367 . . . . 0.0 110.865 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -104.37 162.91 12.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.61 129.79 1.18 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 t -87.6 117.83 26.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 t -124.07 149.03 46.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.823 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.74 104.17 3.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.5 p -158.55 151.04 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.377 . . . . 0.0 111.106 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -115.14 150.04 43.65 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.506 0.67 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.405 ' HA ' ' HD2' ' A' ' 11' ' ' PRO . 53.8 Cg_endo -69.79 117.87 5.34 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.33 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 10' ' ' PRO . 53.7 Cg_endo -69.7 -41.03 4.71 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.362 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.458 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 1.3 p80 -127.14 -38.58 1.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.2 36.96 0.52 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.515 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.458 ' HB2' ' CE1' ' A' ' 12' ' ' HIS . 8.8 m-85 -135.38 173.71 11.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.429 ' HG3' ' C ' ' A' ' 14' ' ' PHE . 61.5 mt-30 -148.3 162.5 39.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -89.95 152.91 20.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.0 mttt 66.79 25.16 9.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.9 ptt? -113.01 172.28 7.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -111.08 153.66 25.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.797 HD11 HG22 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -170.41 142.03 2.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.955 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.454 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 78.3 mt-10 -81.22 117.17 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.797 HG22 HD11 ' A' ' 20' ' ' LEU . 85.8 t -111.63 135.09 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.17 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.55 HG22 HG12 ' A' ' 31' ' ' ILE . 92.1 t -78.78 122.8 34.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 27' ' ' ASN . 5.8 t70 -57.43 109.25 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 1.6 mmmm -42.15 -57.78 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -62.37 -29.59 70.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' ASP . 28.4 m-20 -126.3 92.48 45.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.622 0.725 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.417 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 54.5 Cg_endo -69.66 -18.02 37.69 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.728 2.285 . . . . 0.0 112.405 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 55.8 mtm -94.19 14.98 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -135.47 132.77 37.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.55 HG12 HG22 ' A' ' 23' ' ' VAL . 47.0 mt -128.39 141.67 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -142.71 161.63 37.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.5 t -66.09 147.95 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.406 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -133.31 163.38 29.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.1 m -130.86 106.4 8.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.5 t -60.15 103.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.113 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.21 -53.53 6.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -134.88 130.31 35.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.483 HG22 HG12 ' A' ' 44' ' ' VAL . 14.7 p -100.68 113.72 26.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.548 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 12.9 t0 -76.57 -174.82 3.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.0 -37.36 75.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -132.78 10.48 4.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.2 mtt85 -143.92 179.33 7.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.483 HG12 HG22 ' A' ' 39' ' ' THR . 31.0 m -156.95 120.61 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.4 tttm -66.1 120.14 12.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.2 m -103.79 116.24 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -107.87 115.01 29.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.419 ' O ' ' C ' ' A' ' 49' ' ' ASP . 3.9 m-85 -73.49 105.06 4.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 48' ' ' PHE . 26.1 t0 -35.51 122.56 0.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 51' ' ' TRP . . . 93.24 -62.9 2.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.544 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.482 ' N ' HD13 ' A' ' 83' ' ' LEU . 33.9 m95 -36.76 149.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.754 0.311 . . . . 0.0 110.936 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.413 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . 29.3 m-20 -59.87 134.94 57.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -46.08 -37.49 6.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.8 t -51.41 -44.44 62.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.423 ' O ' ' C ' ' A' ' 56' ' ' ASP . 50.7 m-85 -51.84 -43.56 63.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 55' ' ' TYR . 2.7 m-20 -36.77 147.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -156.67 148.63 22.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.548 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 55.7 m95 -77.46 105.25 8.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.622 HG23 HD11 ' A' ' 66' ' ' ILE . 16.0 tt -106.62 141.41 21.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.607 ' O ' HD12 ' A' ' 66' ' ' ILE . 30.7 m-20 -62.49 131.48 49.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.445 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -65.51 -23.78 66.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -100.69 23.53 10.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.5 t -80.1 141.33 54.15 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.666 0.746 . . . . 0.0 110.84 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -22.06 32.53 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 0.0 112.384 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.529 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.6 m-20 -73.3 -32.78 64.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.656 HG23 HD13 ' A' ' 20' ' ' LEU . 72.2 mt -66.35 128.16 28.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -128.73 143.62 49.22 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.592 0.711 . . . . 0.0 110.848 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 162.12 43.3 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.704 2.27 . . . . 0.0 112.366 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.565 ' O ' HG12 ' A' ' 69' ' ' VAL . 19.8 t -64.75 91.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 132.2 23.9 0.81 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.588 ' CZ3' ' HB2' ' A' ' 77' ' ' HIS . 1.2 t90 -84.4 -10.4 57.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.754 0.312 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.3 p -77.67 -24.49 49.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 74' ' ' LYS . 5.6 t -86.68 -56.68 3.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.547 ' HD3' ' CD1' ' A' ' 71' ' ' TRP . 16.2 ptmt -34.22 -37.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.457 HG22 ' CG ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -113.34 -44.36 3.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 109.6 37.01 1.97 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.588 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 8.4 m80 -91.6 153.26 43.99 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.606 0.717 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 149.2 66.61 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.382 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 31' ' ' ILE . 15.8 tp -133.47 136.29 45.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -104.06 128.05 27.98 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.559 0.695 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 155.52 65.71 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.372 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -177.8 2.05 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.713 2.275 . . . . 0.0 112.285 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.549 HD23 ' HG3' ' A' ' 87' ' ' GLU . 7.7 mp -62.9 163.51 9.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.951 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 m -65.45 158.06 75.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.682 0.753 . . . . 0.0 110.845 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 2.22 3.75 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.622 2.215 . . . . 0.0 112.358 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.8 pp -86.51 -29.38 22.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.549 ' HG3' HD23 ' A' ' 83' ' ' LEU . 5.3 mm-40 -70.19 -41.49 73.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.727 ' H ' HD12 ' A' ' 88' ' ' LEU . 2.2 mp -76.99 -57.01 4.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 11.6 mmt 38.11 42.37 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -67.07 -46.27 74.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -42.52 154.86 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.7 p -106.51 172.71 6.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 71.49 42.11 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -47.39 -59.84 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -39.02 150.68 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.459 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 157.98 -89.38 0.11 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.512 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 6.1 t -92.04 89.41 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.7 m -49.85 136.25 18.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.0 p -134.1 139.34 32.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.619 0.723 . . . . 0.0 111.129 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 107.79 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.54 -171.9 34.22 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.4 p -163.8 176.21 9.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.861 0.362 . . . . 0.0 110.895 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -55.26 144.37 32.79 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 176.14 7.16 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.662 2.241 . . . . 0.0 112.384 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 68.5 m -82.36 170.28 15.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.878 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 96.6 p -68.11 155.78 38.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m -52.85 139.96 25.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.845 0.355 . . . . 0.0 110.892 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.9 p -120.23 128.22 53.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.809 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.25 -142.29 4.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -43.97 101.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.902 0.382 . . . . 0.0 110.847 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -144.71 121.98 11.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.813 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.42 -45.58 5.41 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.463 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.1 p -38.26 143.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.9 0.381 . . . . 0.0 111.116 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -109.7 148.83 38.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.603 0.716 . . . . 0.0 110.845 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 161.46 45.83 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.657 2.238 . . . . 0.0 112.345 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -39.86 5.89 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.635 2.223 . . . . 0.0 112.335 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.508 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 1.1 p80 -121.9 -36.38 3.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.54 34.12 0.72 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.602 ' CE1' ' HB1' ' A' ' 61' ' ' ALA . 7.1 m-85 -127.89 147.15 50.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.865 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -118.65 157.67 26.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -85.44 148.38 26.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt 69.84 26.61 4.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.463 ' HE2' HG21 ' A' ' 36' ' ' VAL . 12.3 ptt? -109.95 174.72 5.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.463 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 18.0 mmtp -114.77 148.83 37.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.861 HD11 HG22 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -163.5 141.99 7.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.415 ' OE2' HD13 ' A' ' 79' ' ' LEU . 82.5 mt-10 -81.38 114.53 20.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.861 HG22 HD11 ' A' ' 20' ' ' LEU . 59.3 t -108.43 140.46 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.51 HG22 HG12 ' A' ' 31' ' ' ILE . 86.9 t -85.81 115.12 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 27' ' ' ASN . 13.0 t0 -52.81 109.14 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.481 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 1.4 mmmm -42.12 -58.77 2.0 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -60.54 -32.05 71.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 24' ' ' ASP . 3.1 m-20 -126.11 91.36 48.18 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.593 0.711 . . . . 0.0 110.838 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.487 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 54.0 Cg_endo -69.77 -18.7 36.79 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.713 2.275 . . . . 0.0 112.342 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.5 mtm -93.09 14.59 17.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -135.49 120.77 19.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.574 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 41.6 mt -121.52 139.52 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.5 mtt-85 -138.35 177.59 7.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.463 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 99.0 t -80.74 138.75 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.403 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -123.55 166.92 14.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.6 m -133.55 114.14 13.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.463 HG21 ' HE2' ' A' ' 18' ' ' MET . 22.0 t -63.97 102.62 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.16 -44.72 13.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.043 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -136.49 141.53 43.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.8 p -117.0 109.82 17.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.437 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 5.9 t0 -85.5 -175.88 5.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -51.26 -64.91 0.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -120.87 26.38 9.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.6 mtt85 -146.7 169.64 18.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 44' ' ' VAL . 33.7 m -154.93 123.28 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -68.33 112.89 5.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.481 HG12 HD21 ' A' ' 20' ' ' LEU . 14.5 m -97.71 116.97 41.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.082 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -108.42 124.09 49.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.53 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 3.8 m-85 -75.27 100.22 4.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' PHE . 3.6 t70 -37.08 120.2 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.531 ' O ' HD12 ' A' ' 83' ' ' LEU . . . 106.01 -48.73 0.94 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.536 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.53 ' CD1' ' HB3' ' A' ' 48' ' ' PHE . 57.3 m95 -59.97 142.73 53.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.333 . . . . 0.0 110.916 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -45.63 163.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -82.28 40.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 12.3 m -128.93 -39.67 1.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -57.25 -37.75 72.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.06 140.68 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -144.44 151.63 39.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.966 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.437 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 47.8 m95 -77.29 105.53 8.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.807 HG23 HD11 ' A' ' 66' ' ' ILE . 14.3 tt -109.69 144.08 18.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.469 ' O ' HD12 ' A' ' 66' ' ' ILE . 2.8 m-20 -69.27 127.31 32.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.602 ' HB1' ' CE1' ' A' ' 14' ' ' PHE . . . -62.98 -12.97 29.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -106.57 9.05 31.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.7 t -69.4 141.09 90.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.693 0.759 . . . . 0.0 110.818 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -14.16 35.58 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.658 2.238 . . . . 0.0 112.304 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.492 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -79.94 -32.9 40.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.807 HD11 HG23 ' A' ' 59' ' ' ILE . 19.5 mt -66.69 126.38 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 95.2 m-70 -129.2 141.85 43.18 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.605 0.716 . . . . 0.0 110.881 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 156.21 64.08 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.716 2.277 . . . . 0.0 112.366 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.7 t -57.48 104.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.144 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 122.65 9.1 6.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.541 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.574 ' CH2' ' HB2' ' A' ' 77' ' ' HIS . 0.6 OUTLIER -70.76 -14.23 62.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.719 0.295 . . . . 0.0 110.916 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 30.1 p -63.85 -19.88 65.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 74' ' ' LYS . 5.1 m -91.31 -51.9 5.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 73' ' ' SER . 16.4 mtpp -36.63 -63.19 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.8 p -79.76 -47.9 14.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.144 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.93 26.91 3.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.526 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.574 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 9.4 m-70 -97.22 144.66 28.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.614 0.721 . . . . 0.0 110.859 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 144.11 52.78 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.654 2.236 . . . . 0.0 112.309 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.415 HD13 ' OE2' ' A' ' 21' ' ' GLU . 13.5 tp -109.62 142.14 41.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -106.25 133.77 20.08 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.553 0.692 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 156.04 64.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -174.56 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.387 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 50' ' ' GLY . 8.1 mt -52.28 168.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 m -64.59 158.75 65.87 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.634 0.73 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -2.15 9.68 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.323 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.8 pp -111.47 -19.08 12.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -76.6 -41.11 47.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -65.29 -27.97 69.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 7.0 ptm -100.64 77.75 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -127.33 156.51 41.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 37.25 43.21 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 t -89.34 133.89 34.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -122.71 131.18 53.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -40.01 143.36 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -113.45 -153.89 11.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.531 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -81.04 -170.81 43.9 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.501 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 3.4 t -165.33 152.64 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.0 m -108.35 115.8 30.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.0 m -153.26 121.01 3.04 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.576 0.703 . . . . 0.0 111.116 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 169.89 17.92 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 112.42 -155.82 15.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.0 m -91.44 -51.8 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.56 172.62 47.13 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -176.12 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.707 2.271 . . . . 0.0 112.338 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.2 t -130.36 166.44 20.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 36.4 t -135.08 165.11 26.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -84.49 165.17 18.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.92 0.391 . . . . 0.0 110.825 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.1 p -115.86 149.81 38.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.77 159.49 31.13 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 t -153.56 107.94 3.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.372 . . . . 0.0 110.88 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 m -110.48 142.9 41.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.58 38.64 61.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.0 t -132.7 150.28 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.925 0.393 . . . . 0.0 111.122 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -116.72 147.83 40.71 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.578 0.704 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 148.7 65.57 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.639 2.226 . . . . 0.0 112.361 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -47.08 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.704 2.27 . . . . 0.0 112.312 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -122.41 -24.94 4.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.35 -47.12 1.04 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.532 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.481 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 41.1 m-85 -48.95 151.18 1.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.777 0.323 . . . . 0.0 110.889 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -121.84 162.24 21.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.509 ' HG3' HG23 ' A' ' 39' ' ' THR . 22.9 mtmt -92.57 157.31 16.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt 66.93 25.09 9.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.853 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.9 ptt? -115.95 -176.72 3.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 43.9 mmtm -118.45 153.59 33.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.841 HD11 HG22 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -168.42 143.38 3.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 67' ' ' HIS . 90.7 mt-10 -81.31 114.51 20.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.829 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.841 HG22 HD11 ' A' ' 20' ' ' LEU . 58.8 t -110.98 139.27 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.586 HG22 HG12 ' A' ' 31' ' ' ILE . 84.9 t -81.59 124.58 39.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 27' ' ' ASN . 21.1 t0 -63.06 114.3 3.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.511 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 3.1 mmmm -46.1 -58.13 3.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -60.14 -27.82 67.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 24' ' ' ASP . 23.8 m-20 -132.31 91.92 29.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.643 0.735 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.48 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.7 Cg_endo -69.77 -22.59 31.79 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.71 2.273 . . . . 0.0 112.327 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.8 mtt -88.66 15.17 8.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -136.53 127.69 28.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.586 HG12 HG22 ' A' ' 23' ' ' VAL . 37.0 mt -124.84 135.67 63.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.458 ' NH1' ' CZ2' ' A' ' 51' ' ' TRP . 14.8 mtp180 -134.12 176.8 8.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.466 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 55.9 t -74.7 148.85 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -137.76 161.42 36.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.045 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.3 m -130.82 114.92 15.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.6 102.55 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.6 -52.37 8.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -137.16 141.91 42.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.524 HG22 HG12 ' A' ' 44' ' ' VAL . 40.0 p -114.13 111.1 21.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -82.48 -176.55 6.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -46.92 -63.63 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -125.03 29.49 6.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -146.0 168.95 19.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.558 HG13 ' HB2' ' A' ' 61' ' ' ALA . 35.0 m -151.99 120.99 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -71.24 110.2 5.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.0 m -93.94 119.39 41.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.151 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -105.3 120.43 41.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.585 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 5.0 m-85 -82.98 92.43 7.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -43.72 132.78 4.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.414 ' C ' ' HB2' ' A' ' 83' ' ' LEU . . . 99.96 -37.49 3.53 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.51 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.585 ' CD1' ' HB3' ' A' ' 48' ' ' PHE . 11.4 m95 -60.57 167.87 2.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.761 0.315 . . . . 0.0 110.921 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.547 ' O ' ' CD2' ' A' ' 55' ' ' TYR . 9.4 t-20 -123.23 -174.52 2.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.466 ' O ' ' C ' ' A' ' 54' ' ' CYS . 0.9 OUTLIER 44.6 45.56 7.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 56' ' ' ASP . 1.7 m 32.83 37.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.547 ' CD2' ' O ' ' A' ' 52' ' ' ASN . 9.5 m-85 -37.03 -28.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.5 OUTLIER -38.53 158.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.851 179.896 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.511 ' CZ ' ' HD3' ' A' ' 25' ' ' LYS . 5.7 p90 -155.56 156.58 35.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 46.4 m95 -79.29 107.54 12.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.974 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.879 HG23 HD11 ' A' ' 66' ' ' ILE . 15.8 tt -112.35 141.21 28.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.651 ' O ' HD12 ' A' ' 66' ' ' ILE . 1.1 m-20 -64.13 129.96 42.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.558 ' HB2' HG13 ' A' ' 44' ' ' VAL . . . -63.45 -24.03 67.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -98.96 19.45 15.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.5 t -78.65 140.69 59.48 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.639 0.733 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -22.9 31.34 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.668 2.245 . . . . 0.0 112.343 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.537 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -72.46 -28.04 62.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.879 HD11 HG23 ' A' ' 59' ' ' ILE . 56.6 mt -75.0 127.57 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.179 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.482 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 90.8 m-70 -129.1 143.29 48.22 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.597 0.713 . . . . 0.0 110.831 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 166.11 28.74 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.649 2.233 . . . . 0.0 112.367 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 37.6 t -65.4 100.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 126.65 13.96 2.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.58 ' CZ3' ' HB2' ' A' ' 77' ' ' HIS . 0.5 OUTLIER -77.79 -16.79 58.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.719 0.295 . . . . 0.0 110.892 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.403 ' HA ' ' CE3' ' A' ' 71' ' ' TRP . 25.4 p -65.05 -31.52 72.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 74' ' ' LYS . 1.5 t -84.53 -63.27 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.464 ' CG ' HG23 ' A' ' 75' ' ' THR . 16.8 ptmt -35.61 -36.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.499 HG21 ' CE2' ' A' ' 71' ' ' TRP . 21.7 p -99.77 -42.28 6.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.58 32.16 4.92 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.58 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 2.6 m80 -102.28 145.24 30.16 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.575 0.702 . . . . 0.0 110.825 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 129.4 17.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.637 2.225 . . . . 0.0 112.319 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.7 tp -100.76 148.2 25.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -120.63 129.76 25.16 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 110.933 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 158.96 55.17 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.656 2.237 . . . . 0.0 112.374 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 174.46 9.52 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.669 2.246 . . . . 0.0 112.319 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.414 ' HB2' ' C ' ' A' ' 50' ' ' GLY . 4.3 mm? -55.19 162.43 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.473 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 3.5 m -76.93 159.35 78.83 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.706 0.765 . . . . 0.0 110.821 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 1.96 3.99 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.636 2.224 . . . . 0.0 112.356 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 84' ' ' SER . 0.2 OUTLIER -112.94 -25.67 8.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -69.97 -17.39 63.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.8 pp -100.03 9.1 43.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 26.5 tpp -60.93 136.13 57.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -110.23 179.3 4.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -120.67 135.8 55.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.0 m -133.46 95.03 3.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -84.79 -44.73 13.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -41.24 159.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 179.92 166.52 35.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -157.55 -88.73 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 8.4 t 51.33 41.89 28.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.791 0.329 . . . . 0.0 110.859 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.3 t -115.26 103.71 11.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.6 t -104.81 125.82 32.84 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.565 0.698 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 113.23 3.3 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.729 2.286 . . . . 0.0 112.338 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -95.87 144.83 17.49 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -74.31 154.42 38.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.947 0.403 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -114.75 -77.02 0.71 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.447 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 161.75 44.74 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 2.238 . . . . 0.0 112.336 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.5 t -137.73 115.75 11.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.1 t -45.28 126.58 6.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.446 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.6 p -89.04 123.14 33.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.837 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 t -73.74 -62.27 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.99 99.45 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 t -37.53 111.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 110.91 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.0 p -133.75 104.74 6.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.59 76.74 0.22 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.461 HG22 ' N ' ' A' ' 9' ' ' LYS . 14.1 p -118.32 157.1 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.892 0.377 . . . . 0.0 111.13 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.461 ' N ' HG22 ' A' ' 8' ' ' VAL . 61.3 mttt -98.7 149.31 35.62 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.509 0.671 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 138.31 37.4 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.251 . . . . 0.0 112.326 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -46.47 1.19 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.318 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -121.93 -38.43 2.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.841 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 133.91 -44.55 1.18 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.505 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 52.2 m-85 -47.94 144.47 3.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -119.86 160.42 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -87.29 160.47 18.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp 62.94 29.92 16.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 16.6 ptt? -121.7 173.08 7.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HB2' HG21 ' A' ' 69' ' ' VAL . 22.4 mmtp -111.15 152.59 26.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.733 HD13 HG23 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -166.57 139.09 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.465 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 61.4 mt-10 -81.48 119.19 23.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.676 HG22 HD11 ' A' ' 20' ' ' LEU . 71.7 t -112.06 130.93 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.16 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.1 t -72.63 114.84 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.468 ' OD1' ' CZ ' ' A' ' 26' ' ' ARG . 7.7 t0 -51.17 111.63 0.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -48.63 -58.87 4.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.468 ' CZ ' ' OD1' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -51.73 -35.13 41.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.448 ' OD1' ' C ' ' A' ' 26' ' ' ARG . 3.9 m-20 -134.87 101.6 11.53 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.664 0.745 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -2.97 11.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.298 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 70.7 mtm -104.86 14.95 28.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -136.63 120.46 17.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.465 ' CG2' ' HB3' ' A' ' 21' ' ' GLU . 51.3 mt -119.86 138.57 50.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.3 mtt85 -135.51 179.29 6.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.42 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 96.5 t -82.23 148.33 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -138.93 145.48 39.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.8 m -115.66 110.21 18.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.03 103.24 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.34 -53.93 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -132.39 133.16 43.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.537 HG22 ' CG1' ' A' ' 44' ' ' VAL . 9.3 p -104.72 109.29 21.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.164 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.533 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 3.2 t70 -73.81 -174.71 1.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.99 -45.57 73.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -124.99 8.3 8.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 40' ' ' ASP . 11.9 mtt85 -141.6 169.96 16.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.537 ' CG1' HG22 ' A' ' 39' ' ' THR . 29.8 m -148.97 119.05 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -62.08 122.51 15.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 46' ' ' VAL . 18.9 m -111.99 114.33 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -98.86 140.33 33.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.589 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 4.9 m-85 -95.35 95.33 8.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 48' ' ' PHE . 11.7 t0 -36.53 135.91 0.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.91 -43.02 3.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.498 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.593 ' CD1' HD23 ' A' ' 83' ' ' LEU . 57.6 m95 -67.79 139.08 56.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.332 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -39.53 160.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 50.8 p-10 -80.22 42.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 20.7 p -134.99 -40.04 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.844 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -50.31 -40.26 48.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -39.38 159.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -165.14 153.52 11.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.533 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 58.8 m95 -79.49 104.79 10.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.824 HG23 HD11 ' A' ' 66' ' ' ILE . 15.9 tt -105.48 144.88 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.18 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.03 120.09 13.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.505 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -56.09 -28.6 58.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -93.17 21.31 6.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.9 t -81.61 138.04 47.65 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 110.847 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -16.0 37.18 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.707 2.271 . . . . 0.0 112.326 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.99 -37.53 54.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.824 HD11 HG23 ' A' ' 59' ' ' ILE . 36.4 mt -62.02 123.75 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.523 ' HB3' ' CG ' ' A' ' 71' ' ' TRP . 95.2 m-70 -125.67 147.67 59.23 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.569 0.699 . . . . 0.0 110.863 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 163.66 37.43 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.466 HG21 ' HB2' ' A' ' 19' ' ' LYS . 17.8 t -58.1 -29.35 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.14 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.83 18.76 49.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.534 ' CZ3' ' HB2' ' A' ' 77' ' ' HIS . 87.5 t90 -70.63 -45.46 65.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.745 0.307 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 14.0 p -47.54 -32.5 5.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.1 m -85.78 -59.11 2.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -42.68 -41.98 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.515 HG21 ' CE2' ' A' ' 71' ' ' TRP . 61.6 p -93.14 -55.16 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 110.26 35.82 2.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.44 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.534 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 3.8 m80 -107.52 148.6 37.53 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 128.93 16.74 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 0.0 112.375 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.431 HD13 ' CD ' ' A' ' 21' ' ' GLU . 25.2 tp -95.48 143.84 26.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -101.34 132.89 21.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.576 0.703 . . . . 0.0 110.917 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 149.44 66.63 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.673 2.249 . . . . 0.0 112.304 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 177.8 5.23 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.724 2.282 . . . . 0.0 112.304 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.593 HD23 ' CD1' ' A' ' 51' ' ' TRP . 4.1 mm? -63.32 173.47 1.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 m -66.0 160.48 62.95 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.705 0.764 . . . . 0.0 110.842 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 1.43 4.43 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.694 2.262 . . . . 0.0 112.351 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 87' ' ' GLU . 3.9 pp -89.27 -37.61 14.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.406 ' N ' HD12 ' A' ' 86' ' ' LEU . 45.1 mm-40 -61.83 -54.63 39.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.54 HD12 ' N ' ' A' ' 89' ' ' MET . 3.8 pp -51.66 -40.73 60.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.54 ' N ' HD12 ' A' ' 88' ' ' LEU . 17.7 tmm? -55.95 101.89 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -103.7 -50.74 3.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -137.67 120.06 15.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 86.4 p -65.24 169.71 5.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -159.93 108.3 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -69.02 -55.13 11.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 122.12 -153.21 16.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -100.21 -110.31 3.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 19.1 m -121.66 150.59 41.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.791 0.329 . . . . 0.0 110.902 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.1 p -104.83 124.38 49.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.2 t -114.32 140.16 24.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.576 0.703 . . . . 0.0 111.135 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 174.35 9.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.662 2.241 . . . . 0.0 112.327 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -140.77 -160.06 8.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 81.0 p -92.83 174.48 7.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.382 . . . . 0.0 110.864 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -104.27 139.96 14.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 177.19 5.87 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.0 t -165.84 154.9 11.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.2 m -67.06 156.95 34.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.44 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -65.35 128.66 36.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.892 0.377 . . . . 0.0 110.829 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 t -66.45 87.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.59 -170.19 53.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.479 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 t -67.26 160.91 26.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.918 0.389 . . . . 0.0 110.823 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.8 p -77.63 -48.11 17.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.832 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.21 -52.87 2.48 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.2 p -98.19 141.94 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.888 0.375 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -123.97 146.32 50.66 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 0.0 110.904 179.906 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 163.95 36.35 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.383 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -45.63 1.51 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.74 2.293 . . . . 0.0 112.3 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.434 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 2.9 p80 -121.83 -21.91 5.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 14' ' ' PHE . . . 119.19 -55.46 0.6 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.491 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.681 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 42.1 m-85 -37.0 148.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.855 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -121.62 166.61 13.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -89.35 149.68 22.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.0 mttt 68.83 27.62 5.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.416 ' SD ' HG23 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -107.58 179.88 4.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.871 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.479 ' O ' HG23 ' A' ' 69' ' ' VAL . 28.6 mmtt -122.55 138.15 54.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.775 HD13 HG23 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -155.56 140.01 16.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 67' ' ' HIS . 86.7 mt-10 -81.32 116.0 20.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.774 HG22 HD11 ' A' ' 20' ' ' LEU . 95.9 t -108.25 135.61 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.557 HG22 HG12 ' A' ' 31' ' ' ILE . 74.2 t -81.16 123.08 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -60.66 128.97 39.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 26' ' ' ARG . 24.6 mmtt -62.75 -54.33 40.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.601 ' NE ' ' H ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -56.54 -31.81 64.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -135.0 94.03 16.62 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.604 0.716 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -5.18 15.59 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.665 2.243 . . . . 0.0 112.379 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.4 mtm -100.25 9.63 42.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -132.29 136.72 47.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.602 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 20.4 mt -129.18 144.45 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.3 mtt85 -141.69 160.36 40.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.3 t -65.8 145.91 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 20' ' ' LEU . . . -133.57 167.77 19.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.3 m -140.58 116.69 10.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.416 HG23 ' SD ' ' A' ' 18' ' ' MET . 47.5 t -62.53 102.88 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.98 -42.42 17.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.092 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -141.38 133.81 28.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.2 p -107.91 112.79 25.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.556 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 6.5 t70 -88.52 -175.61 5.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -49.21 -63.34 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -124.98 28.45 6.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -146.7 169.97 17.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 44' ' ' VAL . 27.0 m -153.84 118.27 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -64.97 111.1 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.417 HG11 HG21 ' A' ' 22' ' ' VAL . 3.2 m -92.05 121.11 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 32.1 t60 -103.64 117.88 35.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' ASP . 4.2 m-85 -76.81 97.98 4.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' PHE . 26.3 t70 -35.66 138.03 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.47 -68.13 3.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.489 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.644 ' CD1' ' CD1' ' A' ' 83' ' ' LEU . 62.4 m95 -44.19 164.96 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.836 0.351 . . . . 0.0 110.882 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -72.96 168.4 19.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -78.83 -15.94 57.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 15.9 p -73.15 -15.1 61.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -87.42 -27.07 22.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.402 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 0.9 OUTLIER -54.99 156.46 3.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -157.09 155.73 31.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.556 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 39.7 m95 -80.8 106.03 12.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.947 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.659 HG23 HD11 ' A' ' 66' ' ' ILE . 14.6 tt -108.57 145.52 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.113 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.726 ' O ' HD12 ' A' ' 66' ' ' ILE . 7.8 m-20 -73.2 126.39 29.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.681 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -59.26 -20.41 54.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -96.65 5.49 50.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.3 t -65.29 142.15 98.38 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.705 0.764 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -26.86 27.17 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.65 2.233 . . . . 0.0 112.384 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.429 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 0.6 OUTLIER -68.89 -36.03 77.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.775 HG23 HD13 ' A' ' 20' ' ' LEU . 56.7 mt -60.92 118.04 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.073 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 98.2 m-70 -121.96 142.02 35.43 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.561 0.696 . . . . 0.0 110.851 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 157.91 58.79 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.667 2.244 . . . . 0.0 112.34 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 19' ' ' LYS . 18.0 t -58.56 104.8 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 121.32 11.51 6.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.451 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.602 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 1.2 t90 -70.27 -14.4 62.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.817 0.342 . . . . 0.0 110.958 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 17.3 p -64.56 -22.42 66.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 74' ' ' LYS . 3.1 m -81.0 -56.3 4.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 73' ' ' SER . 8.2 mtpm? -35.24 -73.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.0 p -73.6 -30.25 62.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.75 26.0 23.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.572 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 0.7 OUTLIER -85.54 144.83 40.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.611 0.72 . . . . 0.0 110.832 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 129.85 18.29 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.695 2.263 . . . . 0.0 112.301 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 22.1 tp -96.44 154.28 17.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -118.1 125.48 27.91 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.526 0.679 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 161.74 44.78 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -175.1 1.05 Allowed 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.657 2.238 . . . . 0.0 112.372 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.741 HD22 ' OE1' ' A' ' 87' ' ' GLU . 5.0 mp -80.32 177.27 9.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -66.27 156.51 84.86 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.666 0.746 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 0.09 6.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.676 2.25 . . . . 0.0 112.311 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.483 ' O ' HD12 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -88.83 -15.43 34.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.741 ' OE1' HD22 ' A' ' 83' ' ' LEU . 23.5 mt-10 -88.2 -35.74 17.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.725 HD12 ' O ' ' A' ' 88' ' ' LEU . 4.5 pp -92.64 26.89 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 31.5 ttm -84.23 164.16 19.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 41.26 39.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -101.13 -57.51 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.053 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.5 m -93.56 118.18 31.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -78.83 105.87 10.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -131.12 153.16 49.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -72.97 132.37 17.0 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.45 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -111.41 116.86 4.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 28.5 p -80.81 153.01 27.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 0.0 110.922 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.9 p -115.52 117.04 29.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 67.1 p -106.97 84.75 1.67 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.555 0.693 . . . . 0.0 111.196 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 170.57 16.27 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.709 2.272 . . . . 0.0 112.321 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -142.06 157.87 26.58 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.449 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.1 m -143.49 -178.31 5.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.904 0.383 . . . . 0.0 110.844 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -167.58 145.77 10.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -171.33 0.46 Allowed 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.733 2.289 . . . . 0.0 112.358 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.8 m -130.99 162.09 30.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.8 p -151.18 172.25 16.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.826 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 t -157.87 144.53 17.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.367 . . . . 0.0 110.842 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.6 p -142.15 170.01 16.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.78 -171.54 22.67 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -83.46 42.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.903 0.382 . . . . 0.0 110.849 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.1 p -162.9 167.45 22.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.04 -57.28 5.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.449 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.5 p -84.4 143.37 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.901 0.382 . . . . 0.0 111.094 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -122.03 146.07 45.45 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.571 0.701 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.403 ' HA ' ' HD2' ' A' ' 11' ' ' PRO . 54.4 Cg_endo -69.73 110.37 2.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.258 . . . . 0.0 112.389 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 10' ' ' PRO . 53.3 Cg_endo -69.72 -40.75 5.02 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.756 2.304 . . . . 0.0 112.311 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -126.84 -27.79 3.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.18 -50.26 0.87 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.694 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 46.8 m-85 -48.02 145.38 3.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.871 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.574 ' O ' HG11 ' A' ' 36' ' ' VAL . 55.0 mt-30 -116.82 179.04 4.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.57 ' HG3' HG23 ' A' ' 39' ' ' THR . 15.4 mtmt -105.02 152.71 22.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 72.0 mttt 66.78 25.09 9.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.45 ' CE ' HG21 ' A' ' 36' ' ' VAL . 11.3 ptt? -113.44 -174.98 2.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -117.47 144.33 45.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.795 HD21 HG12 ' A' ' 46' ' ' VAL . 0.5 OUTLIER -157.82 148.67 21.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.841 ' OE1' HG22 ' A' ' 31' ' ' ILE . 9.3 mm-40 -91.09 140.46 29.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.657 ' CG2' HD11 ' A' ' 20' ' ' LEU . 61.8 t -134.67 138.82 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.576 HG22 HG12 ' A' ' 31' ' ' ILE . 94.4 t -81.34 119.01 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 27' ' ' ASN . 2.4 t70 -52.23 116.03 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -47.32 -58.66 3.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.93 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -62.97 -28.93 70.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.41 ' HA ' ' HD2' ' A' ' 28' ' ' PRO . 3.9 m120 -126.24 91.89 46.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.627 0.727 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.51 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.3 Cg_endo -69.76 -5.66 16.75 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.725 2.283 . . . . 0.0 112.342 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 20.4 mtt -106.01 11.59 31.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -136.51 126.7 26.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.841 HG22 ' OE1' ' A' ' 21' ' ' GLU . 14.5 mt -121.92 139.69 48.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.161 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.449 ' C ' ' OE1' ' A' ' 21' ' ' GLU . 66.9 mtt85 -131.2 153.16 49.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.485 HG22 ' OE2' ' A' ' 21' ' ' GLU . 75.9 t -62.2 146.29 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.517 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -131.41 172.93 11.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.8 m -137.67 112.21 8.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.574 HG11 ' O ' ' A' ' 15' ' ' GLN . 21.7 t -62.48 104.11 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.81 -41.73 17.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -148.0 136.61 21.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.57 HG23 ' HG3' ' A' ' 16' ' ' LYS . 78.1 p -109.16 113.0 25.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.137 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.455 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 9.9 t70 -84.35 -179.38 7.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -42.74 -57.58 2.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -133.19 32.61 3.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -147.53 169.68 19.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 44' ' ' VAL . 26.9 m -152.46 118.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -66.59 104.28 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.795 HG12 HD21 ' A' ' 20' ' ' LEU . 11.5 m -88.45 113.18 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -101.09 116.04 31.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -75.41 106.39 6.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -43.62 127.81 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.424 ' C ' HD12 ' A' ' 83' ' ' LEU . . . 88.88 -58.93 3.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.443 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -47.72 133.57 13.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.822 0.344 . . . . 0.0 110.873 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -40.82 130.14 2.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 5.0 m120 -42.53 -44.37 4.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.5 m -43.77 -41.84 5.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 56' ' ' ASP . 35.4 m-85 -50.38 -51.03 49.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 0.7 OUTLIER -34.94 151.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 179.885 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -160.93 154.0 21.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.455 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 52.9 m95 -77.09 105.54 8.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.946 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.86 HG23 HD11 ' A' ' 66' ' ' ILE . 17.0 tt -111.57 143.29 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.77 ' O ' HD12 ' A' ' 66' ' ' ILE . 78.8 m-20 -66.14 125.33 25.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.694 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -59.45 -26.73 65.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -92.49 6.91 45.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.4 t -59.72 139.17 89.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.676 0.751 . . . . 0.0 110.868 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -15.14 36.87 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.709 2.273 . . . . 0.0 112.301 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.57 -32.78 21.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.86 HD11 HG23 ' A' ' 59' ' ' ILE . 56.3 mt -65.1 124.71 20.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 21' ' ' GLU . 99.0 m-70 -126.97 142.15 42.79 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.606 0.717 . . . . 0.0 110.854 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 153.26 69.28 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.4 t -48.01 -20.66 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.96 33.09 6.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.571 ' CH2' ' HB2' ' A' ' 77' ' ' HIS . 64.9 t90 -94.74 -50.63 5.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.782 0.325 . . . . 0.0 110.967 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.0 p -41.9 -42.51 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 74' ' ' LYS . 36.9 m -78.42 -57.7 3.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 73' ' ' SER . 23.5 mtpp -36.96 -55.19 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.7 p -83.5 -44.7 14.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.16 27.76 5.77 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.538 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.571 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 5.0 m170 -93.3 145.17 29.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.624 0.726 . . . . 0.0 110.805 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 122.84 9.53 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.534 HD21 ' OE2' ' A' ' 21' ' ' GLU . 21.8 tp -94.04 152.36 18.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -115.1 134.49 22.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.585 0.707 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.55 68.25 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.338 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -178.23 2.24 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.706 2.271 . . . . 0.0 112.347 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' A' ' 83' ' ' LEU . 9.6 mt -47.68 165.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.6 m -69.64 156.64 91.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.646 0.736 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.495 ' HA ' HD21 ' A' ' 88' ' ' LEU . 53.8 Cg_endo -69.72 -5.71 16.84 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.715 2.277 . . . . 0.0 112.367 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 pp -91.95 -9.06 44.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -88.66 -49.0 7.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.627 HD23 ' H ' ' A' ' 88' ' ' LEU . 1.3 pt? -84.73 34.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 31.1 mtt -67.24 151.82 46.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 39.82 33.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.31 152.95 19.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 t -94.42 145.87 24.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -169.65 176.9 4.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -81.44 143.52 32.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.43 -83.14 1.24 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.459 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.54 66.89 1.48 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.479 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 26.3 p -72.26 145.83 47.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.839 0.352 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 73.9 p -112.41 157.62 20.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.0 t -110.74 141.37 23.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.613 0.721 . . . . 0.0 111.106 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 158.57 56.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.729 2.286 . . . . 0.0 112.311 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 105.45 159.59 23.04 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.459 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.8 t -171.69 108.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.935 0.398 . . . . 0.0 110.861 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -113.37 -158.3 12.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 167.05 25.55 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.652 2.235 . . . . 0.0 112.396 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.2 p -125.18 116.88 22.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.1 m -81.53 151.94 27.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 -179.923 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.6 m -71.58 167.95 18.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.371 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -86.34 114.35 23.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.99 110.68 0.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 t -111.31 -63.77 1.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.911 0.386 . . . . 0.0 110.831 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.7 p 45.08 53.43 7.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.68 39.07 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.8 p -137.27 153.19 28.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 111.132 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -84.41 143.86 42.37 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.559 0.695 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 129.81 18.23 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.733 2.288 . . . . 0.0 112.308 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -41.1 4.61 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.658 2.239 . . . . 0.0 112.395 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.443 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 1.4 p80 -126.06 -40.08 2.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 129.72 37.78 0.35 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.45 ' CZ ' HG21 ' A' ' 66' ' ' ILE . 16.6 m-85 -138.87 145.82 40.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.341 . . . . 0.0 110.887 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -120.57 162.3 19.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -87.47 149.99 24.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.6 mttp 68.88 25.79 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.544 ' CE ' HG21 ' A' ' 36' ' ' VAL . 12.2 ptt? -110.8 173.78 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.459 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 40.1 mmtm -114.55 149.19 36.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.872 HD11 HG22 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -164.2 140.51 6.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 67' ' ' HIS . 84.5 mt-10 -81.34 116.81 21.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.872 HG22 HD11 ' A' ' 20' ' ' LEU . 59.8 t -110.35 138.92 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.119 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.495 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 98.6 t -81.98 114.3 22.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 27' ' ' ASN . 19.7 t0 -52.72 109.38 0.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.476 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 1.7 mmmm -43.3 -58.94 2.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -57.86 -34.53 69.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 24' ' ' ASP . 1.6 m-20 -126.98 90.59 49.1 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.495 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.7 Cg_endo -69.75 -14.81 36.65 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.362 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -92.35 11.96 24.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -135.22 135.59 41.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.826 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.559 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 34.1 mt -129.27 143.45 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 -140.82 178.24 7.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.459 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 76.0 t -85.2 137.2 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.434 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -121.3 161.71 21.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.4 m -129.96 106.11 8.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.13 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.544 HG21 ' CE ' ' A' ' 18' ' ' MET . 11.7 t -56.95 104.0 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.12 -49.47 8.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -135.74 134.63 39.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.2 p -107.05 110.71 22.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 43' ' ' ARG . 12.4 t0 -75.55 -174.76 2.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.824 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.86 -39.2 83.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -132.24 9.76 4.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 40' ' ' ASP . 17.0 mtt85 -142.25 173.4 11.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 44' ' ' VAL . 31.1 m -152.66 118.93 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.178 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -64.2 119.17 9.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.6 m -103.91 117.09 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -104.72 121.08 42.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -76.91 115.31 16.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -49.49 125.53 11.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.717 ' HA2' HD22 ' A' ' 88' ' ' LEU . . . 93.78 -45.34 2.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.45 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.608 ' CD1' HD13 ' A' ' 83' ' ' LEU . 11.8 m0 -59.59 156.4 13.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 110.916 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -69.81 138.37 52.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.429 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 5.9 m120 -41.9 -41.18 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 60.9 m -45.71 -58.76 3.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 56' ' ' ASP . 74.0 m-85 -38.81 -45.55 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 2.8 m-20 -36.53 147.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.416 ' CZ ' ' HD3' ' A' ' 25' ' ' LYS . 4.1 p90 -156.42 145.99 20.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.975 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.488 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 50.9 m95 -72.65 105.37 4.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.781 HG23 HD11 ' A' ' 66' ' ' ILE . 14.1 tt -107.39 142.43 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.611 ' O ' HD12 ' A' ' 66' ' ' ILE . 6.4 m-20 -65.65 129.55 40.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.07 -27.31 68.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.68 23.26 8.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.8 t -78.89 141.53 59.3 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.661 0.743 . . . . 0.0 110.828 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -22.55 31.71 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.326 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.44 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 0.1 OUTLIER -74.9 -33.13 61.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.781 HD11 HG23 ' A' ' 59' ' ' ILE . 33.0 mt -64.56 123.74 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.522 ' HB3' ' CD1' ' A' ' 71' ' ' TRP . 85.0 m-70 -128.88 143.39 48.47 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.611 0.719 . . . . 0.0 110.842 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 158.43 57.02 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.347 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.445 HG21 ' HB2' ' A' ' 19' ' ' LYS . 17.5 t -50.2 -24.69 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -96.59 38.08 3.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.559 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 84.4 t90 -94.01 -61.44 1.53 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.756 0.312 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 30.1 p -41.13 -24.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' TRP . 47.7 m -91.18 -61.43 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.551 ' HE2' ' CD1' ' A' ' 71' ' ' TRP . 26.4 pttt -46.38 -33.54 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.45 HG21 ' CE2' ' A' ' 71' ' ' TRP . 36.1 p -99.8 -15.45 18.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.95 25.15 75.94 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.545 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 4.5 m170 -91.53 151.13 42.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 141.45 44.93 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.0 tp -116.49 155.6 28.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -115.06 131.84 23.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.728 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 149.32 66.79 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.731 2.287 . . . . 0.0 112.377 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -166.44 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.709 2.273 . . . . 0.0 112.331 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.608 HD13 ' CD1' ' A' ' 51' ' ' TRP . 6.8 mp -98.32 166.79 11.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 m -77.01 159.35 78.65 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.665 0.745 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 0.47 5.62 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 pp -88.48 -34.14 17.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -62.0 -56.32 20.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.717 HD22 ' HA2' ' A' ' 50' ' ' GLY . 1.9 pt? -88.58 25.89 1.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 42.9 ttm -46.4 132.7 10.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -86.08 161.61 18.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -91.29 -44.58 9.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.6 t -123.1 105.25 9.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -79.02 161.48 26.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -135.88 149.01 48.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.36 160.49 52.29 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.533 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -164.01 -121.43 0.56 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 3.0 t -70.04 137.99 51.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.825 0.345 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.7 m -96.76 128.89 44.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.694 ' O ' HG22 ' A' ' 99' ' ' THR . 71.9 m 65.21 43.09 0.37 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.72 . . . . 0.0 111.168 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 99' ' ' THR . 53.9 Cg_endo -69.67 -42.21 3.7 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.383 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 143.88 81.82 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.7 p -55.65 -50.37 70.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.938 0.399 . . . . 0.0 110.869 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.59 84.31 0.12 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 122.77 9.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.5 p -128.17 158.54 37.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.2 m -128.89 164.66 22.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.507 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.8 p -140.41 162.53 35.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.875 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 p -68.51 169.55 10.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.07 126.93 3.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 p -107.39 158.46 17.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.889 0.376 . . . . 0.0 110.84 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -136.42 160.77 37.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.92 -69.0 0.24 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.2 p -119.37 140.71 42.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.855 0.36 . . . . 0.0 111.147 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.34 143.96 27.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.575 0.702 . . . . 0.0 110.91 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 168.49 21.49 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -45.55 1.55 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.537 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 1.3 p80 -126.39 -42.23 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.75 29.11 1.08 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.537 ' HB2' ' CE1' ' A' ' 12' ' ' HIS . 4.9 m-85 -121.8 169.29 10.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 110.875 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -139.72 165.42 27.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -93.18 156.3 16.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.5 mttm 63.97 27.27 14.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.3 ptt? -113.97 172.52 6.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.881 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.443 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 35.6 mmtm -110.03 146.59 35.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.792 HD11 HG22 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -164.07 141.0 6.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.471 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 81.2 mt-10 -81.64 116.26 21.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.792 HG22 HD11 ' A' ' 20' ' ' LEU . 87.1 t -109.2 139.45 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.15 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 65' ' ' ASP . 93.8 t -80.06 115.25 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -53.25 115.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 10.8 mmmt -51.25 -58.4 6.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -56.18 -30.93 62.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.416 ' HA ' ' HD2' ' A' ' 28' ' ' PRO . 1.2 m-20 -131.84 92.71 29.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.658 0.742 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 27' ' ' ASN . 53.6 Cg_endo -69.74 -4.69 14.52 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 35.5 mtm -103.1 12.02 36.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -135.41 131.62 36.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.496 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 39.5 mt -127.91 136.55 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.189 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.6 mtt85 -137.97 165.14 27.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.443 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 86.2 t -66.08 144.12 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.446 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -128.99 172.46 11.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.113 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.3 m -138.09 112.4 8.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.8 t -66.92 104.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.11 -43.67 23.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.044 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -148.86 142.89 25.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.502 HG22 HG12 ' A' ' 44' ' ' VAL . 65.2 p -112.32 116.05 29.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.484 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 6.2 t70 -86.69 -176.47 5.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -44.48 -61.09 1.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -129.06 27.98 5.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.1 mtm-85 -141.89 170.05 16.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.502 HG12 HG22 ' A' ' 39' ' ' THR . 22.8 m -153.79 118.68 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -67.12 108.71 2.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.476 HG12 HD21 ' A' ' 20' ' ' LEU . 8.7 m -98.85 116.46 41.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -104.96 132.6 51.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -87.21 130.8 34.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -79.67 141.87 36.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.44 ' C ' ' HB2' ' A' ' 83' ' ' LEU . . . 83.62 -30.01 3.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.514 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.484 ' CD1' HD13 ' A' ' 83' ' ' LEU . 15.4 m0 -66.5 166.89 11.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -79.46 -173.78 3.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.49 ' O ' ' HB2' ' A' ' 54' ' ' CYS . 36.7 m-20 -87.35 172.87 9.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 53' ' ' ASN . 1.3 m 69.09 33.38 3.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.483 ' CD1' ' O ' ' A' ' 53' ' ' ASN . 76.4 m-85 -119.23 -49.61 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.457 ' C ' ' O ' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -33.96 130.03 0.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -143.19 149.3 37.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.484 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 51.6 m95 -80.15 105.06 11.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.953 HG23 HD11 ' A' ' 66' ' ' ILE . 14.0 tt -107.25 136.11 43.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.72 124.77 21.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.25 -20.69 63.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.054 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -95.99 6.11 49.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.5 t -69.09 136.45 89.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.667 0.746 . . . . 0.0 110.893 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -9.66 26.68 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.753 2.302 . . . . 0.0 112.371 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.65 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -80.07 -31.89 39.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.953 HD11 HG23 ' A' ' 59' ' ' ILE . 41.5 mt -71.64 130.96 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.473 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 94.8 m-70 -129.14 143.11 47.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.586 0.707 . . . . 0.0 110.85 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 158.24 57.61 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.409 ' O ' HG12 ' A' ' 69' ' ' VAL . 15.0 t -59.28 101.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 122.16 16.2 4.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 77' ' ' HIS . 1.7 t90 -74.18 -18.75 60.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.769 0.318 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.1 p -54.82 -40.89 70.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 74' ' ' LYS . 38.2 t -77.06 -48.94 16.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' SER . 24.6 mtpp -37.17 -61.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.6 p -83.74 -44.17 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.2 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.88 28.53 3.12 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.568 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 8.1 m80 -102.29 143.51 26.75 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.585 0.707 . . . . 0.0 110.837 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 137.72 36.13 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.4 tp -102.68 138.97 38.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -100.57 130.98 24.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.615 0.722 . . . . 0.0 110.935 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 150.27 68.06 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 165.95 29.24 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.656 2.238 . . . . 0.0 112.387 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.484 HD13 ' CD1' ' A' ' 51' ' ' TRP . 7.2 mp -79.18 165.58 23.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.444 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 1.8 m -62.73 158.79 49.16 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.688 0.756 . . . . 0.0 110.858 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.519 ' HA ' HD21 ' A' ' 88' ' ' LEU . 53.8 Cg_endo -69.81 1.5 4.41 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.444 ' CD2' ' HB3' ' A' ' 84' ' ' SER . 0.1 OUTLIER -104.65 -39.52 6.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -45.94 -21.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.566 HD23 ' H ' ' A' ' 88' ' ' LEU . 1.3 pt? -105.39 46.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 41.1 mtt -122.42 154.47 37.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 91' ' ' ALA . 18.8 tt0 -133.22 133.89 43.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 90' ' ' GLU . . . -35.12 149.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.2 m -106.38 -50.89 3.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.473 ' C ' ' CD ' ' A' ' 93' ' ' GLU . 1.3 pp20? -117.07 165.74 13.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -133.47 117.81 17.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 137.84 62.82 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.524 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -75.71 -76.84 0.76 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.411 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 27.9 p -93.7 153.84 18.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.808 0.337 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.3 t 62.06 51.68 3.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.09 144.13 28.01 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.574 0.702 . . . . 0.0 111.124 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 149.87 67.56 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 0.0 112.361 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 157.93 132.14 1.39 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 79.5 p -122.43 173.74 7.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 0.0 110.839 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.59 162.28 47.18 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 169.15 19.59 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.0 t -155.81 176.2 12.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.6 p -47.03 -37.64 9.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.45 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 m -77.16 93.09 3.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.911 0.386 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 t -155.43 152.65 29.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.53 73.27 2.61 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.517 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.0 p -140.22 163.28 33.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 110.854 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -115.99 172.25 7.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 44.72 81.08 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.446 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.5 p -103.52 149.71 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.386 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 pttm -100.24 143.49 26.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.569 0.699 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 135.86 31.46 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.346 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.433 ' CB ' ' O ' ' A' ' 41' ' ' ASP . 53.9 Cg_endo -69.78 -38.99 7.0 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.502 ' CE1' ' CG1' ' A' ' 44' ' ' VAL . 10.4 p80 -162.59 -174.96 4.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.31 56.66 0.52 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.503 ' CE2' HG21 ' A' ' 66' ' ' ILE . 40.0 m-85 -139.52 146.6 40.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.794 0.331 . . . . 0.0 110.899 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -125.11 170.16 11.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.469 ' CE ' ' HA ' ' A' ' 38' ' ' ASP . 19.1 mttt -89.39 147.64 23.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.0 mttt 67.94 33.56 4.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 10.0 ptt? -120.19 174.81 6.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.545 ' O ' HG23 ' A' ' 69' ' ' VAL . 20.0 mmtp -111.11 147.67 34.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.684 HD11 ' CG2' ' A' ' 22' ' ' VAL . 0.4 OUTLIER -164.66 139.55 5.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.474 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 89.0 mt-10 -84.53 123.66 30.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.684 ' CG2' HD11 ' A' ' 20' ' ' LEU . 70.9 t -116.54 139.42 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 65' ' ' ASP . 95.5 t -79.09 118.94 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -56.83 106.94 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -42.17 -58.37 2.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.7 ptt85 -54.3 -41.04 68.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -126.98 95.96 35.74 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.634 0.731 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.47 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 54.5 Cg_endo -69.72 -3.11 11.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.262 . . . . 0.0 112.398 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -101.9 12.31 37.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -136.25 122.06 19.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.566 ' CD1' ' CH2' ' A' ' 71' ' ' TRP . 34.3 mt -121.09 138.15 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -137.66 168.22 20.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.461 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 59.3 t -74.21 139.8 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.404 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -123.23 174.2 7.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.8 m -138.63 112.16 8.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.154 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.1 t -64.35 103.98 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.27 -45.76 19.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.469 ' HA ' ' CE ' ' A' ' 16' ' ' LYS . 5.8 t0 -146.85 138.62 24.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 70.4 p -104.42 109.29 21.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.502 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 2.0 t70 -77.2 179.06 6.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 11' ' ' PRO . 4.9 m-20 -47.76 -57.22 5.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -128.28 17.78 6.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 40' ' ' ASP . 37.4 mtt85 -138.69 170.99 15.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.502 ' CG1' ' CE1' ' A' ' 12' ' ' HIS . 27.8 m -150.16 131.29 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -76.79 107.59 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.531 HG12 HD21 ' A' ' 20' ' ' LEU . 12.5 m -93.0 113.74 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -105.36 125.54 51.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -81.56 117.11 21.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -47.57 117.47 1.83 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.92 -40.83 2.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.531 ' CD1' HD13 ' A' ' 83' ' ' LEU . 12.3 m0 -58.66 145.82 38.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.31 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -61.96 146.26 50.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -46.42 -39.07 9.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.0 m -53.12 -50.21 64.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.443 ' O ' ' C ' ' A' ' 56' ' ' ASP . 10.1 m-85 -44.1 -54.96 5.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 55' ' ' TYR . 2.2 m-20 -34.21 148.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.902 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -154.9 148.23 25.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.502 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 46.1 m95 -75.66 105.16 6.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.496 HG23 HD11 ' A' ' 66' ' ' ILE . 16.2 tt -107.62 143.6 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 63' ' ' SER . 4.7 m-20 -72.32 121.69 19.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.24 -37.82 65.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -72.48 1.99 7.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 60' ' ' ASP . 20.5 t -67.75 133.73 92.38 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.712 0.767 . . . . 0.0 110.841 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -23.81 30.62 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.473 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -65.67 -34.24 77.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.592 HG23 HD13 ' A' ' 20' ' ' LEU . 83.4 mt -63.29 130.46 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.484 ' HB3' ' CG ' ' A' ' 71' ' ' TRP . 87.5 m-70 -129.11 142.32 44.79 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.544 0.688 . . . . 0.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 153.96 68.41 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 19' ' ' LYS . 10.6 t -45.68 -29.12 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.143 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.31 45.56 1.54 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.566 ' CH2' ' CD1' ' A' ' 31' ' ' ILE . 81.3 t90 -95.14 -53.31 3.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.789 0.328 . . . . 0.0 110.921 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 71' ' ' TRP . 32.0 p -35.85 -39.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 74' ' ' LYS . 13.3 p -72.66 -64.56 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' SER . 14.7 mtpp -34.28 -66.94 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.6 p -75.44 -20.06 59.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.9 33.38 57.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.519 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.434 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 5.1 m-70 -99.06 150.98 37.2 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 0.0 110.826 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 148.57 64.95 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.306 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.451 HD12 ' O ' ' A' ' 31' ' ' ILE . 29.7 tp -118.66 150.16 40.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -108.98 132.15 21.36 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.556 0.693 . . . . 0.0 110.96 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 149.73 67.45 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.349 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 177.74 5.27 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.38 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.531 HD13 ' CD1' ' A' ' 51' ' ' TRP . 5.6 mp -60.18 154.38 19.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.4 m -45.55 157.54 0.37 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.606 0.717 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -2.46 10.19 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.621 2.214 . . . . 0.0 112.414 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.1 pp -106.61 -30.79 8.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.03 -28.77 69.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.446 HD12 ' N ' ' A' ' 89' ' ' MET . 3.8 pp -66.51 -37.79 85.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.446 ' N ' HD12 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -57.23 -46.13 83.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -47.37 -52.42 16.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.45 138.26 40.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 17.3 t -163.41 140.58 7.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -104.0 126.12 50.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.9 p80 37.98 37.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -92.17 113.99 4.5 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.516 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.29 53.11 0.16 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 87.8 m -89.47 126.67 35.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 0.0 110.855 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.8 p -115.9 79.11 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.1 p -93.56 147.82 34.34 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.555 0.693 . . . . 0.0 111.169 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 89.86 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.717 2.278 . . . . 0.0 112.331 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -173.14 -101.07 0.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.459 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 93.4 p -95.33 143.57 26.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.907 0.384 . . . . 0.0 110.858 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 166.64 -85.06 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.513 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -14.36 35.92 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.71 2.273 . . . . 0.0 112.367 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 85.3 p -49.13 155.91 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.4 t -96.52 155.06 16.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 -179.913 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 m -140.88 177.22 8.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 110.874 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -60.92 168.18 2.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.47 79.33 0.39 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -42.84 122.36 2.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 m -101.76 90.98 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.16 45.62 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.446 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.406 ' C ' ' HD2' ' A' ' 9' ' ' LYS . 26.3 m -118.06 171.52 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.9 0.381 . . . . 0.0 111.139 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.406 ' HD2' ' C ' ' A' ' 8' ' ' VAL . 4.8 mptt -139.56 143.84 37.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.603 0.716 . . . . 0.0 110.916 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 141.5 45.37 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.656 2.237 . . . . 0.0 112.337 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -40.37 5.38 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.685 2.257 . . . . 0.0 112.323 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.442 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 1.3 p80 -131.88 -41.55 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.99 34.95 0.31 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.437 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.604 ' CE2' HG21 ' A' ' 66' ' ' ILE . 18.9 m-85 -139.21 154.88 48.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 110.891 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -125.88 174.6 8.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.61 ' HG3' HG23 ' A' ' 39' ' ' THR . 25.5 mtmt -102.25 156.14 17.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.4 mtmt 66.18 25.24 10.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 15.7 ptt? -113.28 172.5 6.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.665 ' NZ ' HG11 ' A' ' 33' ' ' VAL . 20.9 mmtp -112.37 145.99 39.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.828 HD13 HG23 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -163.99 140.76 6.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.466 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 69.9 mt-10 -81.3 115.43 20.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.663 HG22 HD11 ' A' ' 20' ' ' LEU . 73.3 t -108.31 146.63 13.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 54.2 t -85.63 118.25 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.122 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -51.13 134.23 27.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -69.69 -38.9 77.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.779 ' HE ' ' N ' ' A' ' 26' ' ' ARG . 0.8 OUTLIER -66.68 -38.26 86.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -138.51 104.99 7.69 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.579 0.704 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.472 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 54.2 Cg_endo -69.7 -3.03 11.16 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.347 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.2 mmt -97.17 8.25 44.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -131.24 133.45 45.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.644 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 23.7 mt -129.1 140.7 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.088 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.451 ' NH2' ' O ' ' A' ' 81' ' ' PRO . 17.2 mtp85 -141.23 171.92 13.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.819 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.665 HG11 ' NZ ' ' A' ' 19' ' ' LYS . 68.4 t -72.18 145.85 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 20' ' ' LEU . . . -131.23 168.9 16.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 84.8 m -139.68 107.2 5.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.9 t -62.22 102.83 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.106 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.94 -47.6 16.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -140.56 145.33 36.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.806 HG22 HG12 ' A' ' 44' ' ' VAL . 74.5 p -115.97 121.32 41.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.521 ' OD1' ' CH2' ' A' ' 58' ' ' TRP . 5.8 m-20 -92.49 -175.24 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -45.77 -63.3 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -127.01 32.11 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.9 mtt85 -146.5 168.35 21.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.806 HG12 HG22 ' A' ' 39' ' ' THR . 4.2 m -151.24 118.31 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -65.61 109.45 2.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 46' ' ' VAL . 15.9 m -99.1 114.5 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -101.26 138.83 37.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -94.28 102.64 14.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -45.17 123.69 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 103.3 -45.82 1.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.571 ' CD1' HD23 ' A' ' 83' ' ' LEU . 30.0 m95 -72.81 145.34 47.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.831 0.348 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -46.88 132.58 11.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.439 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 24.1 m-80 -47.84 -33.26 7.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.1 m -51.09 -47.47 61.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.449 ' O ' ' C ' ' A' ' 56' ' ' ASP . 35.3 m-85 -46.28 -41.32 12.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 55' ' ' TYR . 17.9 m-20 -34.41 144.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -150.68 155.89 40.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.521 ' CH2' ' OD1' ' A' ' 40' ' ' ASP . 47.8 m95 -86.15 105.54 16.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.611 HG23 HD11 ' A' ' 66' ' ' ILE . 16.2 tt -105.23 144.29 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.78 125.1 24.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.09 -24.86 64.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -94.54 17.14 13.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.1 t -81.64 136.8 48.1 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.63 0.729 . . . . 0.0 110.875 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -16.63 37.55 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.374 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.41 -32.94 70.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.828 HG23 HD13 ' A' ' 20' ' ' LEU . 66.5 mt -68.06 129.08 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 93.3 m-70 -129.09 142.74 46.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.609 0.719 . . . . 0.0 110.871 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 158.91 55.36 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.695 2.263 . . . . 0.0 112.339 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.5 t -60.16 103.48 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.089 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 123.77 6.7 7.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.644 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 3.0 t90 -66.56 -14.65 62.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.336 . . . . 0.0 110.969 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 16.7 p -70.02 -24.64 63.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.1 m -88.93 -50.44 6.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -39.26 -65.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.8 p -77.64 -43.17 32.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 110.08 29.11 3.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.479 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 4.1 m80 -94.19 145.83 30.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.582 0.706 . . . . 0.0 110.835 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 139.07 39.33 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.638 2.225 . . . . 0.0 112.37 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.4 tp -108.21 140.46 41.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.952 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -105.9 127.45 28.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.628 0.728 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.451 ' O ' ' NH2' ' A' ' 32' ' ' ARG . 53.6 Cg_endo -69.8 154.73 67.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -167.84 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.325 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.571 HD23 ' CD1' ' A' ' 51' ' ' TRP . 4.5 mm? -70.51 175.19 4.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.6 m -62.31 158.34 48.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.683 0.754 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -0.93 7.58 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.259 . . . . 0.0 112.379 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.614 ' C ' HD12 ' A' ' 86' ' ' LEU . 2.5 pp -105.89 -20.94 13.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -71.17 -53.74 13.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.795 HD12 ' N ' ' A' ' 89' ' ' MET . 3.7 pp -48.59 -48.98 38.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.795 ' N ' HD12 ' A' ' 88' ' ' LEU . 2.9 ppp? -75.24 155.28 36.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -134.66 122.29 22.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.03 156.15 25.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.041 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.0 t -126.56 -48.42 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -153.32 124.73 7.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -41.34 161.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -178.26 179.01 48.67 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.523 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.46 91.81 2.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 5.6 t -98.88 106.64 18.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.787 0.327 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.0 m -63.85 152.77 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 41.3 p -110.55 152.62 43.5 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.587 0.708 . . . . 0.0 111.104 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -175.89 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.649 2.233 . . . . 0.0 112.367 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -179.2 -119.08 0.6 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.4 t -58.95 159.0 7.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.915 0.388 . . . . 0.0 110.849 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -123.24 -157.45 9.87 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 135.89 31.54 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.294 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 79.7 p -88.41 -59.09 2.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.2 t -132.9 154.39 50.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.453 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -84.59 88.5 7.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.877 0.37 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -83.34 -58.02 3.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.86 61.12 4.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.2 m -124.19 81.71 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.84 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.3 p -167.36 135.58 2.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.79 100.5 1.79 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.0 p -127.76 144.74 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.941 0.4 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -98.22 151.05 37.33 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.587 0.708 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 121.23 7.92 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.85 -46.46 1.18 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.704 2.269 . . . . 0.0 112.31 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.488 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 1.2 p80 -125.12 -48.27 1.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.88 30.31 0.33 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.447 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.84 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 32.0 m-85 -128.91 145.06 51.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 110.87 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -115.56 166.15 12.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.541 ' HG3' HG23 ' A' ' 39' ' ' THR . 15.2 mtmt -94.0 154.45 17.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.6 mttm 68.4 24.98 7.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.915 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 11.7 ptt? -114.19 178.14 4.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.424 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 21.6 mmtm -115.19 152.61 32.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.945 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.93 HD11 HG22 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -167.0 140.71 3.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.431 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 75.1 mt-10 -81.16 117.47 21.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.93 HG22 HD11 ' A' ' 20' ' ' LEU . 42.7 t -113.08 142.1 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.558 HG22 HG12 ' A' ' 31' ' ' ILE . 92.0 t -83.56 118.08 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -56.12 121.25 8.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -54.17 -58.26 8.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.519 ' NH1' ' CE1' ' A' ' 55' ' ' TYR . 7.6 ptm180 -53.03 -35.88 59.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -133.0 96.06 18.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.475 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.6 Cg_endo -69.74 -9.74 26.87 Favored 'Trans proline' 0 N--CA 1.466 -0.128 0 C-N-CA 122.738 2.292 . . . . 0.0 112.35 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.4 mtt -94.84 13.39 24.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -135.84 129.44 32.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.558 HG12 HG22 ' A' ' 23' ' ' VAL . 28.9 mt -125.0 130.2 73.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -130.18 168.92 16.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.424 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 50.2 t -69.94 150.15 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -136.85 167.37 21.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.5 m -135.09 112.51 10.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.7 t -60.71 103.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.23 -55.36 5.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.092 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.414 ' HB3' ' CH2' ' A' ' 58' ' ' TRP . 2.3 t70 -139.26 135.43 33.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.541 HG23 ' HG3' ' A' ' 16' ' ' LYS . 70.3 p -104.85 110.38 22.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.479 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 9.9 t0 -83.62 -178.22 6.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -41.57 -68.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -123.9 33.44 5.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.3 mtt85 -148.13 173.57 12.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 44' ' ' VAL . 34.6 m -156.66 121.19 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -72.41 103.85 3.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.42 HG12 HD21 ' A' ' 20' ' ' LEU . 5.9 m -82.72 120.68 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -103.87 119.08 38.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.825 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.798 ' CD2' ' CZ2' ' A' ' 51' ' ' TRP . 83.6 m-85 -85.75 103.64 14.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -57.54 126.92 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.443 ' C ' ' HB2' ' A' ' 83' ' ' LEU . . . 101.71 -42.18 1.97 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.798 ' CZ2' ' CD2' ' A' ' 48' ' ' PHE . 18.9 m0 -48.52 171.48 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.727 0.298 . . . . 0.0 110.939 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -123.06 -174.03 2.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.501 ' O ' ' N ' ' A' ' 55' ' ' TYR . 5.1 t-20 39.1 42.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 56' ' ' ASP . 1.7 m 32.0 36.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.519 ' CE1' ' NH1' ' A' ' 26' ' ' ARG . 7.3 m-85 -33.4 -34.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.6 OUTLIER -34.55 150.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -152.88 167.51 28.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.479 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 53.6 m95 -84.13 105.89 15.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.867 HG23 HD11 ' A' ' 66' ' ' ILE . 16.9 tt -111.34 143.04 21.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.162 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.773 ' O ' HD12 ' A' ' 66' ' ' ILE . 2.2 m-20 -66.01 127.81 33.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.84 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -61.71 -25.46 67.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.89 14.57 21.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 t -72.95 140.95 81.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.617 0.722 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -20.14 35.55 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.45 -28.8 52.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.867 HD11 HG23 ' A' ' 59' ' ' ILE . 54.2 mt -71.67 124.13 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 98.2 m-70 -125.72 142.55 42.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.714 . . . . 0.0 110.868 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 164.95 32.65 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.322 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 69' ' ' VAL . 27.1 t -64.97 97.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.79 18.01 2.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.515 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.517 ' CH2' ' HB2' ' A' ' 77' ' ' HIS . 1.4 t90 -76.1 -23.77 54.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.783 0.325 . . . . 0.0 110.93 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.428 ' HA ' ' CE3' ' A' ' 71' ' ' TRP . 26.9 p -50.89 -43.05 59.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 74' ' ' LYS . 3.8 m -72.26 -51.52 20.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 73' ' ' SER . 47.2 mtpt -35.18 -65.45 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.7 p -78.21 -47.33 18.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.04 32.68 1.8 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.519 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.517 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 0.6 OUTLIER -108.69 149.66 39.75 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.563 0.697 . . . . 0.0 110.85 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 147.35 62.7 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.679 2.253 . . . . 0.0 112.394 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.3 tp -114.83 147.14 40.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -112.29 131.52 22.54 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.547 0.689 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.37 60.63 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.648 2.232 . . . . 0.0 112.392 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 160.34 50.06 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.443 ' HB2' ' C ' ' A' ' 50' ' ' GLY . 8.4 mp -65.02 135.41 55.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 m -65.2 161.6 47.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.661 0.743 . . . . 0.0 110.828 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 2.96 3.07 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.348 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.1 pp -94.84 -29.23 14.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -63.34 -31.21 72.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.708 HD12 ' O ' ' A' ' 88' ' ' LEU . 4.0 pp -93.91 36.69 1.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 37.7 mtt -90.61 97.21 11.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -111.91 138.03 49.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.853 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.72 100.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.06 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.9 t -154.3 116.34 4.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -45.13 106.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -99.88 171.89 7.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -105.63 -133.91 7.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.447 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 44.25 49.76 8.05 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.49 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 75.6 m -83.5 100.71 10.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.1 m -166.18 138.96 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.8 t -155.73 127.57 3.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 111.165 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 159.19 54.32 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.315 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -153.02 113.18 0.56 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.532 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 54.0 p -168.6 170.8 9.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.925 0.393 . . . . 0.0 110.855 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 174.64 95.0 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 172.93 11.71 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.636 2.224 . . . . 0.0 112.359 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.5 p -136.78 179.13 6.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 91.2 p -143.67 148.5 35.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.822 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 m -114.38 96.75 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.338 . . . . 0.0 110.869 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 m -74.79 -59.52 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.21 64.03 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.461 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 p -112.54 127.42 56.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 110.87 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.5 p -134.62 139.59 45.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.12 59.99 7.06 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.6 p -128.91 144.66 37.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.941 0.401 . . . . 0.0 111.126 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 9' ' ' LYS . 1.3 mppt? -110.92 143.76 28.94 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.59 0.71 . . . . 0.0 110.862 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 138.49 37.87 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.703 2.268 . . . . 0.0 112.347 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -46.84 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.673 2.249 . . . . 0.0 112.33 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.43 ' CE1' ' HB ' ' A' ' 39' ' ' THR . 1.8 p80 -118.86 -24.77 6.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.75 -45.09 1.28 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.462 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -47.02 157.82 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.786 0.327 . . . . 0.0 110.886 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -128.36 161.95 28.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.435 ' NZ ' ' HB2' ' A' ' 16' ' ' LYS . 1.7 mtmp? -90.71 163.82 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? 61.81 25.15 15.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -114.75 -178.5 3.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.622 ' O ' HG23 ' A' ' 69' ' ' VAL . 40.9 mmtm -119.81 147.6 44.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.968 HD11 HG22 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -159.57 139.59 11.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.515 ' OE1' HD13 ' A' ' 79' ' ' LEU . 52.1 mt-10 -81.03 115.69 20.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.968 HG22 HD11 ' A' ' 20' ' ' LEU . 21.7 t -109.84 147.64 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.496 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 98.9 t -90.67 114.26 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 27' ' ' ASN . 21.1 t0 -52.86 107.99 0.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 10.6 mmmt -42.04 -52.49 4.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -63.27 -28.23 69.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' ASP . 48.9 m-20 -131.24 91.3 35.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.496 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.8 Cg_endo -69.77 -7.17 20.38 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.692 2.261 . . . . 0.0 112.307 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 26.0 mmt -105.55 14.38 28.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -136.57 127.19 27.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.517 ' O ' HD12 ' A' ' 79' ' ' LEU . 43.0 mt -122.92 133.92 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -127.35 -175.0 3.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.479 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 25.4 t -87.9 142.1 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.16 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -131.72 162.01 31.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.5 m -133.17 114.8 14.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.138 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.9 t -60.06 102.47 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.32 -54.43 6.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -139.59 133.37 30.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.736 HG22 HG12 ' A' ' 44' ' ' VAL . 49.1 p -102.87 109.26 20.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 43' ' ' ARG . 29.7 m-20 -83.97 -177.29 6.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -38.3 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -121.04 34.23 5.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 40' ' ' ASP . 24.4 mtt85 -148.55 161.72 41.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.736 HG12 HG22 ' A' ' 39' ' ' THR . 22.3 m -142.93 117.86 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -66.22 108.03 2.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.536 HG12 HD21 ' A' ' 20' ' ' LEU . 8.4 m -89.2 113.26 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.439 ' ND1' ' OD2' ' A' ' 56' ' ' ASP . 7.7 t60 -101.12 118.17 36.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.595 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 7.5 m-85 -83.17 112.26 19.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 82' ' ' PRO . 1.6 t70 -61.61 134.15 56.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.422 ' HA2' HD22 ' A' ' 88' ' ' LEU . . . 98.67 -41.36 2.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.768 ' HA ' HD12 ' A' ' 83' ' ' LEU . 18.1 m95 -52.13 171.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.811 0.338 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -125.33 -174.7 3.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 54' ' ' CYS . 46.1 t30 38.89 42.11 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 56' ' ' ASP . 1.7 m 33.89 39.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -37.81 -27.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.9 OUTLIER -39.15 159.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -155.34 162.66 40.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -82.08 105.54 13.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.828 HG23 HD11 ' A' ' 66' ' ' ILE . 16.1 tt -110.69 145.09 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.135 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.736 ' O ' HD12 ' A' ' 66' ' ' ILE . 3.7 m-20 -70.66 126.46 29.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.38 -22.62 54.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -92.08 -2.86 56.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.0 t -54.82 137.02 64.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.652 0.739 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -18.31 37.24 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.622 2.215 . . . . 0.0 112.358 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.452 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.4 OUTLIER -79.77 -26.86 40.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.828 HD11 HG23 ' A' ' 59' ' ' ILE . 68.9 mt -71.26 126.18 31.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.509 ' HB3' ' CG ' ' A' ' 71' ' ' TRP . 91.5 m-70 -129.16 145.54 57.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.64 0.733 . . . . 0.0 110.863 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 158.79 55.69 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.654 2.236 . . . . 0.0 112.314 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 19' ' ' LYS . 41.8 t -50.48 -30.53 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.02 40.46 2.54 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.453 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.708 ' CE2' HG21 ' A' ' 75' ' ' THR . 70.3 t90 -91.03 -51.69 5.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.792 0.33 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 71' ' ' TRP . 31.9 p -35.94 -39.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 74' ' ' LYS . 66.7 m -68.3 -66.28 0.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 73' ' ' SER . 24.0 mttt -33.64 -70.71 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.708 HG21 ' CE2' ' A' ' 71' ' ' TRP . 1.5 p -68.77 -41.72 78.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.181 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.61 31.61 7.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.479 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.568 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 1.0 OUTLIER -97.17 145.6 29.9 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.836 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 123.81 10.48 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.653 2.235 . . . . 0.0 112.393 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.517 HD12 ' O ' ' A' ' 31' ' ' ILE . 32.8 tp -90.79 145.96 24.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -116.02 134.28 22.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.623 0.725 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 168.72 20.83 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.425 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 54.0 Cg_endo -69.75 164.47 34.41 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.692 2.261 . . . . 0.0 112.394 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.938 HD22 ' OE1' ' A' ' 87' ' ' GLU . 13.5 mt -52.43 162.6 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.6 m -56.48 148.12 46.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.666 0.745 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.472 ' HA ' HD21 ' A' ' 88' ' ' LEU . 53.9 Cg_endo -69.69 3.1 2.93 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.691 2.26 . . . . 0.0 112.318 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -102.25 -26.3 13.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.938 ' OE1' HD22 ' A' ' 83' ' ' LEU . 51.3 mt-10 -65.96 -8.94 25.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.472 HD21 ' HA ' ' A' ' 85' ' ' PRO . 1.3 pt? -130.26 38.67 3.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.451 ' O ' ' C ' ' A' ' 90' ' ' GLU . 40.4 ttp -101.88 35.5 2.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 89' ' ' MET . 6.2 tp10 -34.54 -54.88 0.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -126.46 124.04 39.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.2 m -67.28 128.92 38.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -118.28 115.38 24.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -135.4 119.97 18.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -132.76 153.74 20.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -82.92 -173.64 49.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.509 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 8.1 t -170.89 148.07 2.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.6 t -82.2 109.37 16.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.41 HG23 ' HD2' ' A' ' 100' ' ' PRO . 56.2 m -139.41 132.31 15.44 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.535 0.683 . . . . 0.0 111.164 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.41 ' HD2' HG23 ' A' ' 99' ' ' THR . 54.1 Cg_endo -69.76 127.16 14.2 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.722 2.281 . . . . 0.0 112.349 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -133.87 176.4 19.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.444 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.2 m -133.96 174.97 9.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.914 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -162.54 146.5 11.96 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -45.08 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.637 2.225 . . . . 0.0 112.354 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.6 t 72.29 40.81 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.0 t -67.45 116.48 8.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.499 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t 67.99 41.98 1.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 0.0 110.854 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.9 p -102.88 167.83 9.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.87 57.44 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.9 p -162.94 163.39 26.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.854 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m -89.7 87.02 6.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.85 -54.05 1.34 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.8 p -91.69 153.54 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.963 0.411 . . . . 0.0 111.089 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.67 150.9 53.46 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.541 0.686 . . . . 0.0 110.955 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.457 ' HA ' ' HD2' ' A' ' 11' ' ' PRO . 53.3 Cg_endo -69.75 110.32 2.52 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.746 2.298 . . . . 0.0 112.306 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.457 ' HD2' ' HA ' ' A' ' 10' ' ' PRO . 53.6 Cg_endo -69.8 -41.59 4.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.642 2.228 . . . . 0.0 112.337 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.467 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 1.6 p80 -119.28 -35.16 3.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.57 39.47 0.84 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.729 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 12.3 m-85 -133.29 152.9 51.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.788 0.328 . . . . 0.0 110.898 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -120.53 158.27 27.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -90.89 149.41 21.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.7 mttm 71.38 27.58 3.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.8 ptt? -111.62 177.85 4.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.485 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 39.2 mmtt -118.34 143.17 46.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.735 HD13 HG23 ' A' ' 66' ' ' ILE . 0.5 OUTLIER -160.82 142.39 12.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.972 179.891 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.471 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 94.2 mt-10 -84.73 117.77 24.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.665 ' CG2' HD11 ' A' ' 20' ' ' LEU . 69.2 t -108.92 142.41 21.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.072 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.588 HG22 HG12 ' A' ' 31' ' ' ILE . 94.2 t -88.53 116.45 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -53.46 118.69 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 10.5 mmmt -51.89 -58.24 7.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -32.58 67.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -128.61 93.33 38.08 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.648 0.737 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -4.13 13.43 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.576 ' HG2' ' CD1' ' A' ' 30' ' ' PHE . 1.2 pmm? -107.81 16.69 23.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.576 ' CD1' ' HG2' ' A' ' 29' ' ' MET . 34.8 m-85 -134.95 112.01 10.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.588 HG12 HG22 ' A' ' 23' ' ' VAL . 44.4 mt -112.24 131.28 64.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.443 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 62.5 mtt85 -130.29 165.91 21.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.485 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 24.8 t -70.09 141.01 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 20' ' ' LEU . . . -127.41 163.72 23.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.4 m -137.63 109.97 7.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.6 t -58.96 102.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.55 -50.29 8.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -138.1 130.13 28.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.834 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.3 p -99.74 109.97 22.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 9.2 t0 -76.95 -175.03 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.33 -58.17 5.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -125.26 -5.94 7.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 40' ' ' ASP . 52.4 mtt180 -112.38 166.88 10.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.502 HG13 ' HB2' ' A' ' 61' ' ' ALA . 34.8 m -147.21 124.64 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -68.13 121.02 15.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 m -107.84 115.29 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -102.71 130.38 49.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' A' ' 32' ' ' ARG . 3.4 m-85 -84.66 105.86 15.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -39.9 122.2 1.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.4 -63.27 1.17 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -49.0 140.93 8.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.763 0.316 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -45.88 149.23 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 2.2 t-20 -57.83 -33.98 69.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.4 t -51.05 -55.08 19.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -39.75 -44.44 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 2.2 m-20 -41.72 156.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -161.53 150.28 15.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.562 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 50.0 m95 -75.26 107.65 7.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.587 HG23 HD11 ' A' ' 66' ' ' ILE . 16.6 tt -111.95 146.63 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.118 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.577 ' O ' HD12 ' A' ' 66' ' ' ILE . 12.2 m-20 -69.23 125.34 26.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.729 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -62.59 -12.81 25.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -102.59 2.82 36.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.2 t -67.45 141.9 95.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.66 0.743 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -28.03 25.49 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.358 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.04 -36.16 80.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.735 HG23 HD13 ' A' ' 20' ' ' LEU . 97.0 mt -64.0 122.34 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 97.1 m-70 -123.96 142.99 41.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.553 0.692 . . . . 0.0 110.894 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.77 59.25 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.329 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.432 HG23 ' HA ' ' A' ' 20' ' ' LEU . 16.0 t -59.17 103.89 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.86 5.42 6.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.547 ' CH2' ' HB2' ' A' ' 77' ' ' HIS . 1.5 t90 -66.86 -16.19 64.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.755 0.312 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 21.3 p -61.88 -30.22 70.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 74' ' ' LYS . 21.3 m -83.96 -53.73 5.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 73' ' ' SER . 39.0 mtmt -35.2 -67.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.7 p -74.58 -42.76 58.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.51 30.66 3.72 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.547 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 5.0 m80 -102.13 144.62 28.95 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.639 0.733 . . . . 0.0 110.815 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 136.38 32.89 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.723 2.282 . . . . 0.0 112.33 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.1 tp -99.94 146.21 26.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -107.92 127.65 27.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.639 0.733 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 164.29 35.09 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.357 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -171.41 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.713 2.275 . . . . 0.0 112.369 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 83' ' ' LEU . 10.7 mt -60.79 -178.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.765 ' HB3' HD23 ' A' ' 86' ' ' LEU . 28.0 m -86.92 155.98 55.36 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.748 0.785 . . . . 0.0 110.834 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -1.67 8.88 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.765 HD23 ' HB3' ' A' ' 84' ' ' SER . 1.5 pt? -121.19 -3.75 9.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.976 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -110.09 -37.88 5.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.407 ' C ' HD12 ' A' ' 88' ' ' LEU . 2.8 pp -67.82 -17.23 64.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 13.8 ptp -42.52 144.87 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 91' ' ' ALA . 6.1 pm0 -150.84 145.76 25.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 90' ' ' GLU . . . 35.57 40.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.055 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 t -97.45 127.67 43.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -162.36 111.05 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 15.3 p80 -93.81 146.84 23.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 68.06 95.03 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -92.26 -57.51 1.46 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 22.0 p -54.6 156.89 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.88 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.2 p -94.69 166.75 11.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.793 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.597 HG22 ' H ' ' A' ' 101' ' ' GLY . 8.2 m -62.47 125.89 86.93 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.531 0.682 . . . . 0.0 111.108 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 0.03 6.23 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.73 2.286 . . . . 0.0 112.334 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.597 ' H ' HG22 ' A' ' 99' ' ' THR . . . -76.59 -151.04 3.7 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.9 m -117.71 159.14 23.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.96 0.41 . . . . 0.0 110.874 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -161.09 150.67 20.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.514 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 123.56 10.2 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.71 2.274 . . . . 0.0 112.3 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 85.0 p -162.01 172.07 16.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.5 t 69.92 42.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.528 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.9 m -63.29 143.89 57.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 0.0 110.868 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 m -156.59 140.62 16.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.877 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.46 43.04 1.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.465 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 m -134.2 157.53 46.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.359 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -151.35 150.99 31.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 44.58 84.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.8 p -173.43 137.62 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.895 0.378 . . . . 0.0 111.155 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -108.68 143.68 28.02 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.619 0.723 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 155.48 65.88 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -38.77 7.32 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.708 2.272 . . . . 0.0 112.309 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.616 ' CE1' ' CG1' ' A' ' 44' ' ' VAL . 8.5 p80 -165.67 -175.03 3.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.468 ' C ' ' CD1' ' A' ' 14' ' ' PHE . . . -104.25 56.98 0.55 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.617 ' CE2' HG21 ' A' ' 66' ' ' ILE . 21.1 m-85 -144.95 155.6 43.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -132.05 172.69 12.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -94.98 149.61 21.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt 69.33 27.83 4.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -115.0 -176.88 3.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.486 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 44.2 mmtm -122.01 150.23 42.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.918 HD11 HG22 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -165.66 141.07 5.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 67' ' ' HIS . 75.8 mt-10 -81.72 117.67 22.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.918 HG22 HD11 ' A' ' 20' ' ' LEU . 41.3 t -112.71 144.02 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.495 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 90.4 t -85.53 128.16 39.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 27' ' ' ASN . 12.4 t0 -67.58 113.1 5.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 7.9 mmmt -45.4 -55.47 6.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 26' ' ' ARG . 0.2 OUTLIER -63.52 -29.19 70.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 24' ' ' ASP . 28.8 m-20 -131.66 90.82 35.68 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.656 0.741 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.495 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.7 Cg_endo -69.75 -20.23 35.15 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.633 2.222 . . . . 0.0 112.342 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.9 ptp -89.2 14.84 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -135.98 129.32 31.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.722 ' O ' HD12 ' A' ' 79' ' ' LEU . 53.5 mt -127.11 134.61 65.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.153 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.7 mtt-85 -130.5 -176.03 3.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.486 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 96.6 t -85.82 143.39 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.413 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -132.52 145.09 50.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.3 m -116.82 113.57 22.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.8 t -60.47 102.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.96 -48.06 15.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -137.26 138.94 40.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.601 HG22 HG12 ' A' ' 44' ' ' VAL . 1.7 p -109.72 109.44 20.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 12.3 t0 -76.29 -174.69 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.1 -36.82 72.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -134.17 11.92 3.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.827 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' ASP . 11.9 mtt85 -146.18 172.02 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.616 ' CG1' ' CE1' ' A' ' 12' ' ' HIS . 28.0 m -150.22 117.77 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -63.66 114.58 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.5 m -100.54 119.7 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 37.9 t60 -106.01 140.41 39.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.589 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 4.5 m-85 -95.57 105.0 16.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -43.46 124.83 3.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.75 -40.64 2.59 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.589 ' CD1' ' HB3' ' A' ' 48' ' ' PHE . 25.7 m95 -64.01 139.21 58.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -42.56 162.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -83.99 42.14 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 96.2 m -127.15 -45.58 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 56' ' ' ASP . 98.1 m-85 -50.04 -41.15 47.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -34.69 130.19 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -144.1 156.01 44.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.571 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 52.3 m95 -80.51 104.97 11.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.537 HG23 HD11 ' A' ' 66' ' ' ILE . 17.1 tt -105.83 144.4 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.097 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.607 ' O ' HD12 ' A' ' 66' ' ' ILE . 3.9 m-20 -66.54 124.29 22.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.525 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -58.19 -29.29 65.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -93.63 16.73 13.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.2 t -72.53 142.03 83.49 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.647 0.737 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -27.68 26.14 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.644 2.229 . . . . 0.0 112.31 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.488 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 1.8 m-20 -68.75 -33.34 73.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.666 HG23 HD13 ' A' ' 20' ' ' LEU . 77.3 mt -63.56 125.51 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.516 ' HB3' ' CG ' ' A' ' 71' ' ' TRP . 92.2 m-70 -129.0 143.5 49.01 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.554 0.692 . . . . 0.0 110.897 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 152.62 69.15 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.474 HG21 ' HB2' ' A' ' 19' ' ' LYS . 15.2 t -45.03 -28.45 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.02 43.4 1.94 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.584 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 87.1 t90 -95.06 -53.86 3.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.735 0.302 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.4 p -39.41 -38.8 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 74' ' ' LYS . 22.9 t -76.44 -61.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 73' ' ' SER . 26.7 mtpt -38.24 -49.88 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.2 p -87.86 -47.51 8.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.48 34.35 3.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.579 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 6.5 m80 -101.65 150.12 37.03 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.612 0.72 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 134.99 29.43 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.722 HD12 ' O ' ' A' ' 31' ' ' ILE . 22.5 tp -107.82 139.93 41.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -100.36 128.23 30.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 152.59 69.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.26 . . . . 0.0 112.402 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 178.87 4.16 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.325 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.26 160.83 9.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.668 ' HB3' HD12 ' A' ' 86' ' ' LEU . 38.0 m -45.75 155.38 0.49 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.704 0.764 . . . . 0.0 110.811 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -2.48 10.22 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.701 2.267 . . . . 0.0 112.362 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.668 HD12 ' HB3' ' A' ' 84' ' ' SER . 0.1 OUTLIER -110.17 -29.34 8.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -56.77 -33.58 66.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.616 HD23 ' H ' ' A' ' 88' ' ' LEU . 2.5 pt? -92.06 19.03 7.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.966 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.2 mmt -51.69 159.25 0.81 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -168.6 124.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -99.64 147.31 25.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.3 p -118.7 -52.1 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 55.79 49.74 15.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 -70.24 146.44 50.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.13 69.35 1.93 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -128.63 -178.53 15.41 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.474 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 31.8 p -145.01 170.15 16.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.852 0.358 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.0 p -136.19 167.15 21.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.514 HG23 ' HD2' ' A' ' 100' ' ' PRO . 26.0 m -144.67 137.06 13.34 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.614 0.721 . . . . 0.0 111.148 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.514 ' HD2' HG23 ' A' ' 99' ' ' THR . 54.2 Cg_endo -69.68 174.78 8.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.713 2.275 . . . . 0.0 112.352 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -173.55 158.83 28.37 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.457 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.0 p -140.69 156.22 46.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.937 0.399 . . . . 0.0 110.838 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -75.29 157.5 49.8 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.514 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 105' ' ' SER . 53.5 Cg_endo -69.77 2.47 3.5 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.701 2.268 . . . . 0.0 112.352 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 104' ' ' PRO . 1.4 t -35.22 -43.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 67.5 m -99.68 93.01 5.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.855 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.496 -179.969 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.2 m -91.99 119.72 31.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.864 0.364 . . . . 0.0 110.829 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 m -64.1 177.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.04 -138.49 3.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -155.35 171.88 19.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -103.58 155.99 18.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.69 115.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.4 p -169.63 146.81 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.927 0.394 . . . . 0.0 111.11 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -85.05 143.99 40.71 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.592 0.71 . . . . 0.0 110.857 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 128.35 15.86 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.34 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.405 ' HB2' ' O ' ' A' ' 41' ' ' ASP . 53.2 Cg_endo -69.72 -37.91 8.61 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.337 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.431 ' CE1' ' CG1' ' A' ' 44' ' ' VAL . 10.7 p80 -160.04 -174.98 4.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.23 56.67 0.48 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.506 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.519 ' HE2' HD22 ' A' ' 20' ' ' LEU . 10.5 m-85 -132.48 156.95 45.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.36 . . . . 0.0 110.897 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -136.05 161.98 34.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -83.44 148.69 27.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.8 mttt 64.91 34.38 9.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.425 ' HE2' HG21 ' A' ' 36' ' ' VAL . 10.9 ptt? -117.3 -179.03 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 32.4 mmtm -121.6 140.5 52.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.691 HD11 ' CG2' ' A' ' 22' ' ' VAL . 0.4 OUTLIER -157.25 141.93 16.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.46 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 88.0 mt-10 -81.83 122.2 27.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.691 ' CG2' HD11 ' A' ' 20' ' ' LEU . 44.7 t -114.99 141.88 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.513 HG22 HG12 ' A' ' 31' ' ' ILE . 78.0 t -84.99 116.01 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' ASN . 13.4 t0 -52.75 109.06 0.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 1.4 mmmm -42.08 -58.09 2.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -60.44 -33.73 72.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 24' ' ' ASP . 17.1 m-80 -124.17 92.16 48.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.655 0.741 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.464 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.7 Cg_endo -69.7 -15.34 37.25 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.588 ' HG3' ' CD1' ' A' ' 30' ' ' PHE . 18.5 ptp -95.51 14.15 23.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.588 ' CD1' ' HG3' ' A' ' 29' ' ' MET . 44.0 m-85 -135.03 130.38 35.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.529 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 36.6 mt -127.55 141.2 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 -142.26 164.12 31.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.466 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 91.6 t -67.82 145.54 13.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.409 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -131.31 170.03 15.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.06 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.6 m -138.38 116.27 11.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.425 HG21 ' HE2' ' A' ' 18' ' ' MET . 16.3 t -67.55 103.19 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.08 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.87 -35.4 32.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -150.85 140.45 21.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.569 HG22 HG12 ' A' ' 44' ' ' VAL . 12.3 p -107.34 109.35 21.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.574 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 16.2 t70 -83.13 176.45 9.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 11' ' ' PRO . 21.5 m-20 -42.1 -66.24 0.37 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -123.59 27.95 7.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 40' ' ' ASP . 15.4 mtt85 -146.08 165.55 28.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.569 HG12 HG22 ' A' ' 39' ' ' THR . 27.1 m -146.01 119.05 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.409 ' NZ ' ' CD1' ' A' ' 58' ' ' TRP . 13.2 tttp -64.9 112.18 3.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 46' ' ' VAL . 10.2 m -99.84 114.08 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.131 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -103.9 127.75 51.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -81.77 103.77 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -38.98 124.17 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.93 -49.89 1.75 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.459 ' CD1' HD23 ' A' ' 83' ' ' LEU . 21.1 m95 -59.72 142.96 52.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.774 0.321 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -46.59 154.68 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -64.51 -34.12 77.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' TYR . 10.0 t -52.85 -56.76 13.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 56' ' ' ASP . 11.6 m-85 -37.75 -48.78 1.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 1.0 OUTLIER -35.38 149.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -156.77 152.65 27.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.574 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 54.8 m95 -79.24 105.13 10.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.976 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.831 HG23 HD11 ' A' ' 66' ' ' ILE . 15.8 tt -108.21 140.2 27.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.162 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.654 ' O ' HD12 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -64.8 121.38 14.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.856 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.513 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -57.12 -18.25 14.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.103 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -95.28 -12.97 25.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.815 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.2 t -48.08 135.78 11.55 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.88 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -11.44 30.86 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.332 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.503 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -81.49 -25.94 35.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.878 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.831 HD11 HG23 ' A' ' 59' ' ' ILE . 86.0 mt -74.65 129.78 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 95.7 m-70 -129.07 141.64 42.45 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.541 0.686 . . . . 0.0 110.896 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 165.05 32.3 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.685 2.257 . . . . 0.0 112.32 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.416 ' O ' HG12 ' A' ' 69' ' ' VAL . 15.9 t -64.91 100.88 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 125.49 14.71 3.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.541 ' CD2' ' O ' ' A' ' 71' ' ' TRP . 0.9 OUTLIER -77.16 -12.03 59.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.752 0.31 . . . . 0.0 110.925 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.1 p -65.68 -29.5 70.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 74' ' ' LYS . 68.5 m -80.41 -51.29 9.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 73' ' ' SER . 41.0 mtpt -34.71 -66.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.8 p -81.78 -45.12 16.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 111.64 34.25 2.1 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.496 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 3.1 m80 -97.57 143.64 26.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.641 0.734 . . . . 0.0 110.811 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 133.25 25.1 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.2 tp -99.46 138.01 37.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -101.72 125.34 37.52 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 149.37 66.62 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.376 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -174.97 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.324 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.459 HD23 ' CD1' ' A' ' 51' ' ' TRP . 4.3 mm? -55.53 163.31 1.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.6 m -52.97 158.73 2.16 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.632 0.729 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.768 ' O ' HD21 ' A' ' 88' ' ' LEU . 54.4 Cg_endo -69.75 1.18 4.66 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.382 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.63 -38.06 5.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.431 ' HG3' HD12 ' A' ' 83' ' ' LEU . 14.5 mm-40 -48.23 -46.82 35.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.768 HD21 ' O ' ' A' ' 85' ' ' PRO . 2.4 pt? -56.09 -40.23 73.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.47 ' N ' ' HG ' ' A' ' 88' ' ' LEU . 13.0 mtp -63.76 129.5 40.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -97.29 151.31 20.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -98.43 114.99 27.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 83.3 p -167.28 160.9 13.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -83.04 145.3 29.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -108.13 -57.69 2.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 122.88 -144.51 15.83 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.517 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -91.2 141.02 15.5 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.476 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 t -137.67 152.37 49.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.803 0.335 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.0 t -40.12 120.34 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.0 t -130.43 141.91 43.59 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.602 0.715 . . . . 0.0 111.116 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' GLY . 53.7 Cg_endo -69.71 2.57 3.39 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.713 2.276 . . . . 0.0 112.354 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 100' ' ' PRO . . . -34.99 -40.4 0.21 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.456 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 101' ' ' GLY . 18.9 p 36.52 53.37 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.941 0.401 . . . . 0.0 110.829 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.476 ' N ' ' HD2' ' A' ' 104' ' ' PRO . . . -69.15 -59.73 5.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 103' ' ' GLY . 53.7 Cg_endo -69.78 -176.58 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.65 2.234 . . . . 0.0 112.351 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 104' ' ' PRO . 66.5 m -34.73 118.09 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.7 p -170.81 148.82 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.831 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.457 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.465 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 13.2 m-85 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -129.68 169.3 15.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.6 ' HG3' HG23 ' A' ' 39' ' ' THR . 14.9 mtmt -97.18 157.26 16.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt 64.79 27.41 12.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.464 ' CE ' HG21 ' A' ' 36' ' ' VAL . 12.7 ptt? -116.06 -176.77 3.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.479 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 42.4 mmtm -120.27 152.27 38.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.871 HD11 HG22 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -167.48 143.33 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -82.54 116.12 21.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.871 HG22 HD11 ' A' ' 20' ' ' LEU . 48.1 t -109.33 141.27 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.603 HG22 HG12 ' A' ' 31' ' ' ILE . 79.3 t -86.2 117.94 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 27' ' ' ASN . 10.3 t0 -51.58 110.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 12.1 mmmt -44.45 -58.16 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.42 ' CD ' ' H ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -58.57 -29.23 66.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 24' ' ' ASP . 2.7 m120 -129.66 93.47 34.75 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.63 0.728 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.47 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.6 Cg_endo -69.84 -6.5 18.77 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.316 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 21.9 mmt -103.68 11.56 35.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -132.42 133.95 44.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.603 HG12 HG22 ' A' ' 23' ' ' VAL . 25.6 mt -129.0 143.65 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 45.0 mtt-85 -143.84 167.79 21.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.479 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 74.4 t -68.27 152.14 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -140.49 166.32 25.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.2 m -135.52 113.24 10.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.464 HG21 ' CE ' ' A' ' 18' ' ' MET . 21.5 t -64.69 103.26 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.88 -51.96 8.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -138.96 134.36 33.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.6 HG23 ' HG3' ' A' ' 16' ' ' LYS . 72.8 p -105.98 112.56 25.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.408 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 10.4 t0 -83.28 -178.39 7.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -47.26 -57.1 5.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -130.98 30.56 4.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -147.93 172.58 13.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.523 HG13 ' HB2' ' A' ' 61' ' ' ALA . 35.3 m -155.68 122.4 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -70.03 102.99 2.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.6 m -87.33 116.34 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -104.18 121.07 42.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -79.29 106.83 11.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -39.33 116.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.85 -65.44 0.61 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 53.1 m95 . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.758 0.314 . . . . 0.0 110.89 -179.886 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.429 ' O ' ' C ' ' A' ' 56' ' ' ASP . 14.4 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.881 0.372 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 55' ' ' TYR . 15.5 m-20 -35.72 144.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -151.57 156.39 40.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.408 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 55.5 m95 -81.99 105.17 12.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.816 HG23 HD11 ' A' ' 66' ' ' ILE . 14.7 tt -108.89 143.05 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.548 ' O ' HD12 ' A' ' 66' ' ' ILE . 7.5 m-20 -66.68 123.96 21.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.523 ' HB2' HG13 ' A' ' 44' ' ' VAL . . . -61.85 -17.09 55.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -100.38 6.33 44.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.2 t -66.2 141.9 97.59 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.671 0.748 . . . . 0.0 110.824 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -21.77 32.79 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.15 -34.81 66.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.816 HD11 HG23 ' A' ' 59' ' ' ILE . 29.0 mt -65.73 127.48 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.481 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 97.9 m-70 -128.89 143.23 47.85 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.622 0.725 . . . . 0.0 110.889 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 163.02 39.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.245 . . . . 0.0 112.311 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.3 t -62.89 103.75 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.63 6.98 6.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.451 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.59 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 1.8 t90 -68.07 -12.64 61.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.745 0.307 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.2 p -67.46 -32.25 72.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.7 m -81.85 -50.9 8.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -39.68 -62.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.0 p -80.43 -32.99 37.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.79 31.34 7.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.404 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 6.7 m-70 -100.78 143.3 26.31 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.577 0.703 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 139.77 40.98 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.644 2.229 . . . . 0.0 112.346 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.7 tp -104.61 144.67 31.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -105.14 134.78 19.48 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.575 0.702 . . . . 0.0 110.943 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 151.08 68.88 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.64 2.227 . . . . 0.0 112.346 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.216 0 C-N-CA 122.676 2.251 . . . . 0.0 112.384 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.433 ' CE1' ' HB1' ' A' ' 61' ' ' ALA . 4.1 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.789 0.328 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -149.18 162.76 39.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -90.49 147.42 23.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt 70.12 25.22 4.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.478 ' CE ' HG21 ' A' ' 36' ' ' VAL . 11.0 ptt? -110.27 177.07 4.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.408 ' O ' HG23 ' A' ' 69' ' ' VAL . 30.6 mmtm -117.18 153.41 32.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.76 HD13 HG23 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -167.64 140.76 3.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.983 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 67' ' ' HIS . 95.1 mt-10 -81.44 117.56 21.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.714 HG22 HD11 ' A' ' 20' ' ' LEU . 93.7 t -110.55 142.12 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.659 HG22 HG12 ' A' ' 31' ' ' ILE . 93.4 t -86.51 118.64 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.175 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' ASN . 8.8 t0 -51.38 108.45 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 2.1 mmmm -42.1 -57.23 2.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -61.93 -33.89 75.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' ASP . 22.2 m-20 -121.85 91.59 48.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.588 0.709 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.417 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.7 Cg_endo -69.75 -7.98 22.43 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.646 2.231 . . . . 0.0 112.39 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.5 ptp -101.9 11.51 38.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -135.78 133.15 37.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.659 HG12 HG22 ' A' ' 23' ' ' VAL . 27.4 mt -127.26 144.25 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.4 mtt85 -141.65 162.16 36.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.84 146.56 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.409 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -132.68 164.1 27.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.4 m -130.76 114.62 15.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.478 HG21 ' CE ' ' A' ' 18' ' ' MET . 17.7 t -65.66 104.59 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.4 -39.3 17.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -147.88 137.5 22.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.0 p -111.58 111.49 22.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.535 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 6.5 t0 -81.9 -178.66 7.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.437 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 20.3 m-20 -46.47 -56.11 6.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.437 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 2.2 m-70 -131.94 28.87 4.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 40' ' ' ASP . 18.1 mtm180 -145.5 170.36 16.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 44' ' ' VAL . 34.0 m -154.05 122.9 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -70.66 107.19 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.475 HG12 HD21 ' A' ' 20' ' ' LEU . 10.7 m -93.23 113.03 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.455 ' CD2' ' C ' ' A' ' 47' ' ' HIS . 2.7 t60 -99.97 126.69 46.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.532 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 3.1 m-85 -82.23 102.49 11.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -37.83 130.99 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.27 -45.79 3.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.455 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.532 ' CD1' ' HB3' ' A' ' 48' ' ' PHE . 75.6 m95 . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.799 0.333 . . . . 0.0 110.921 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -44.27 161.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -163.94 149.27 10.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.535 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 44.3 m95 -76.84 106.54 8.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.649 HG23 HD11 ' A' ' 66' ' ' ILE . 16.8 tt -109.11 144.5 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.639 ' O ' HD12 ' A' ' 66' ' ' ILE . 6.2 m-20 -68.71 127.36 32.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.433 ' HB1' ' CE1' ' A' ' 14' ' ' PHE . . . -62.1 -20.8 64.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -93.83 -5.5 47.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.9 t -56.65 138.8 76.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.664 0.745 . . . . 0.0 110.868 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -24.31 29.83 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.657 2.238 . . . . 0.0 112.317 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.43 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -68.03 -31.23 70.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.76 HG23 HD13 ' A' ' 20' ' ' LEU . 62.3 mt -66.55 127.56 28.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.474 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 89.0 m-70 -129.04 140.2 37.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.54 0.686 . . . . 0.0 110.883 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 157.37 60.58 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.325 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 19' ' ' LYS . 95.5 t -58.34 102.85 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 122.83 12.72 4.83 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.597 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 0.6 OUTLIER -75.17 -22.83 57.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.749 0.309 . . . . 0.0 110.967 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.441 ' HA ' ' CE3' ' A' ' 71' ' ' TRP . 30.5 p -60.85 -31.65 71.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 75' ' ' THR . 74.9 m -83.55 -66.22 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.462 ' CD ' ' HA ' ' A' ' 71' ' ' TRP . 3.4 ptmm? -33.72 -34.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 73' ' ' SER . 44.6 p -99.87 -46.88 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 109.73 18.06 9.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.533 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 2.2 m80 -89.81 145.42 33.32 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.599 0.714 . . . . 0.0 110.844 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 136.78 33.83 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.7 tp -109.22 137.25 47.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -100.61 135.36 20.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.589 0.709 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 154.72 67.26 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.272 . . . . 0.0 112.337 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.202 0 C-N-CA 122.68 2.253 . . . . 0.0 112.363 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.529 ' CE2' HG21 ' A' ' 66' ' ' ILE . 9.4 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.801 0.334 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -128.22 172.18 11.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.492 ' HG3' HG23 ' A' ' 39' ' ' THR . 5.8 mtpm? -98.92 150.64 21.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt 69.84 26.57 4.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.5 ptt? -113.15 -177.0 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.46 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 33.0 mmtm -121.43 151.57 40.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.882 HD11 HG22 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -166.68 141.61 4.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 67' ' ' HIS . 65.1 mt-10 -81.53 112.55 18.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.882 HG22 HD11 ' A' ' 20' ' ' LEU . 61.2 t -105.33 152.79 7.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.594 HG22 HG12 ' A' ' 31' ' ' ILE . 93.5 t -98.69 117.76 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 27' ' ' ASN . 22.3 t0 -54.88 108.04 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 5.6 mmmt -41.99 -54.52 3.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -63.85 -29.06 70.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' ASP . 16.3 m-80 -129.64 92.04 38.9 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.645 0.736 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.497 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 54.3 Cg_endo -69.77 -18.72 36.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.578 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 11.5 ptp -92.74 15.42 14.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.578 ' CE1' ' HG3' ' A' ' 29' ' ' MET . 72.8 m-85 -136.04 124.52 23.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.723 ' O ' HD12 ' A' ' 79' ' ' LEU . 56.6 mt -125.41 133.22 69.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -132.23 174.21 10.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.46 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 85.4 t -75.41 142.49 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -127.21 166.02 18.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.1 m -137.15 108.92 7.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.125 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 t -62.98 102.58 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.0 -48.68 13.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -139.25 142.89 37.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.63 HG22 HG12 ' A' ' 44' ' ' VAL . 44.0 p -114.15 119.96 38.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.429 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 3.0 t70 -93.1 -176.77 4.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.536 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 7.4 m-20 -47.62 -57.44 5.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.536 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 1.8 m-70 -131.59 32.62 4.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.478 ' O ' HG13 ' A' ' 44' ' ' VAL . 26.7 mtm180 -147.75 173.2 13.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.63 HG12 HG22 ' A' ' 39' ' ' THR . 29.2 m -158.94 117.49 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -66.78 106.79 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.1 m -93.4 119.63 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.407 ' CD2' ' C ' ' A' ' 47' ' ' HIS . 4.8 t60 -106.08 117.9 35.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -76.09 107.17 8.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -44.01 128.79 5.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.66 -43.32 2.88 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 10.9 m0 . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.737 0.303 . . . . 0.0 110.958 -179.933 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.415 ' O ' ' C ' ' A' ' 56' ' ' ASP . 57.6 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.889 0.376 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 55' ' ' TYR . 4.6 m-20 -37.12 139.82 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -152.2 152.49 32.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.429 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 46.4 m95 -77.07 106.48 8.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.772 HG23 HD11 ' A' ' 66' ' ' ILE . 17.2 tt -109.46 141.28 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.705 ' O ' HD12 ' A' ' 66' ' ' ILE . 62.0 m-20 -61.72 129.0 38.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.517 ' O ' ' CE1' ' A' ' 14' ' ' PHE . . . -63.77 -23.01 67.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.081 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -100.95 18.36 19.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 t -74.18 141.97 78.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.672 0.749 . . . . 0.0 110.859 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 -21.32 34.16 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.391 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.03 -34.49 64.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.864 HG23 HD13 ' A' ' 20' ' ' LEU . 81.5 mt -66.91 126.72 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 21' ' ' GLU . 95.5 m-70 -129.03 143.23 47.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.552 0.691 . . . . 0.0 110.882 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 161.9 44.14 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.716 2.278 . . . . 0.0 112.361 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.0 t -61.97 102.72 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.32 11.29 4.71 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.578 ' CZ3' ' HB2' ' A' ' 77' ' ' HIS . 1.6 t90 -71.5 -14.29 62.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.713 0.292 . . . . 0.0 110.875 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 31.6 p -67.22 -34.25 77.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.7 t -77.03 -47.8 19.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -43.56 -68.62 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.9 p -74.12 -50.97 17.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.28 35.12 1.51 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 4.5 m80 -101.47 143.63 26.97 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.585 0.707 . . . . 0.0 110.825 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 136.52 33.25 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.723 HD12 ' O ' ' A' ' 31' ' ' ILE . 18.6 tp -104.89 144.67 31.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -107.48 130.8 22.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.64 0.733 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 153.5 69.18 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.688 2.259 . . . . 0.0 112.418 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.173 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.946 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.725 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 26.3 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.775 0.322 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -117.14 167.85 10.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.64 ' HG3' HG23 ' A' ' 39' ' ' THR . 5.7 mtpm? -97.46 152.72 18.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt 69.55 25.51 5.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.412 ' CE ' HG21 ' A' ' 36' ' ' VAL . 19.1 ptt? -111.75 -179.83 3.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.592 ' O ' HG23 ' A' ' 69' ' ' VAL . 44.2 mmtt -118.75 142.08 48.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.858 HD11 HG22 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -158.21 140.93 14.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 67' ' ' HIS . 91.1 mt-10 -81.33 115.27 20.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.858 HG22 HD11 ' A' ' 20' ' ' LEU . 58.1 t -108.23 140.23 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.475 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 85.6 t -82.0 117.59 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -53.34 118.04 3.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 13.9 mmmt -53.71 -51.98 61.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.474 ' HD2' ' N ' ' A' ' 26' ' ' ARG . 8.7 mmm-85 -60.09 -36.27 77.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -132.04 94.44 24.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.621 0.724 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.475 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 54.1 Cg_endo -69.72 -5.14 15.46 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.727 2.285 . . . . 0.0 112.354 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -96.72 9.12 42.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -133.18 135.94 45.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.693 HD13 ' CZ3' ' A' ' 71' ' ' TRP . 23.8 mt -129.2 135.43 61.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.097 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -133.14 -179.93 5.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.8 t -84.24 142.27 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 20' ' ' LEU . . . -125.46 174.05 8.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.9 m -145.79 109.54 4.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.412 HG21 ' CE ' ' A' ' 18' ' ' MET . 33.0 t -59.75 108.91 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.02 -42.7 12.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -147.59 131.11 16.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.64 HG23 ' HG3' ' A' ' 16' ' ' LYS . 69.9 p -104.47 114.44 28.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.483 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 6.3 t70 -87.94 -175.85 5.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.477 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 3.9 m-20 -45.99 -64.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.477 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 1.1 m-70 -125.75 33.63 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -150.14 169.1 22.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 44' ' ' VAL . 34.3 m -155.57 124.19 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 tttt -69.65 109.86 4.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.451 HG12 HD21 ' A' ' 20' ' ' LEU . 15.1 m -98.1 113.33 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.087 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -99.9 133.83 43.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.427 ' CZ ' ' HB ' ' A' ' 22' ' ' VAL . 4.7 m-85 -91.38 101.01 13.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -41.02 124.58 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.31 -59.14 0.57 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.511 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 62.4 m95 . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.758 0.313 . . . . 0.0 110.96 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.448 ' O ' ' C ' ' A' ' 56' ' ' ASP . 12.3 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.899 0.38 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 55' ' ' TYR . 13.5 m-20 -34.3 147.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -156.87 145.17 19.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.483 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 60.1 m95 -75.56 104.99 6.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.811 HG23 HD11 ' A' ' 66' ' ' ILE . 16.1 tt -105.26 147.38 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.732 ' O ' HD12 ' A' ' 66' ' ' ILE . 55.5 m-20 -70.31 122.04 18.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.838 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.725 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -57.34 -23.57 49.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -96.27 12.04 32.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.3 t -71.47 142.39 86.5 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.68 0.752 . . . . 0.0 110.832 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -22.39 32.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.479 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 1.0 OUTLIER -74.37 -35.02 63.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.89 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.811 HD11 HG23 ' A' ' 59' ' ' ILE . 53.1 mt -62.23 119.85 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 21' ' ' GLU . 83.8 m-70 -124.03 143.64 42.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.554 0.692 . . . . 0.0 110.871 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 164.38 34.81 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.331 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 19' ' ' LYS . 18.5 t -55.72 -23.38 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -101.49 42.05 2.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.706 ' NE1' HG21 ' A' ' 75' ' ' THR . 84.1 t90 -94.1 -43.4 8.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.338 . . . . 0.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.6 p -53.06 -37.52 61.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.3 m -78.5 -52.29 8.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -49.97 -59.72 3.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.706 HG21 ' NE1' ' A' ' 71' ' ' TRP . 1.5 p -78.59 -23.06 46.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.35 30.75 48.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.475 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.587 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 4.7 m80 -96.94 149.96 36.31 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.601 0.715 . . . . 0.0 110.837 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 143.99 52.74 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 31' ' ' ILE . 24.3 tp -115.7 151.76 34.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -115.17 134.32 22.56 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.596 0.712 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 150.54 68.17 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.342 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.214 0 C-N-CA 122.691 2.261 . . . . 0.0 112.329 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.834 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 54.2 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.846 0.355 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -116.51 171.62 7.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.572 ' HG3' HG23 ' A' ' 39' ' ' THR . 6.6 mtpm? -100.47 162.36 12.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.2 mtpt 60.6 25.92 15.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 18.3 ptt? -114.26 -175.86 2.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.415 ' C ' HG23 ' A' ' 69' ' ' VAL . 32.2 mmtm -119.65 148.26 43.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.681 HD11 ' CG2' ' A' ' 22' ' ' VAL . 0.4 OUTLIER -163.42 145.48 9.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 67' ' ' HIS . 68.0 mt-10 -85.61 119.39 25.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.681 ' CG2' HD11 ' A' ' 20' ' ' LEU . 70.7 t -113.74 137.06 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.0 t -80.31 122.2 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' ASN . 17.2 t0 -64.79 116.46 6.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 4.5 mmmt -48.05 -58.92 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.425 ' HG3' ' ND2' ' A' ' 27' ' ' ASN . 3.8 ptp180 -57.95 -32.91 68.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.425 ' ND2' ' HG3' ' A' ' 26' ' ' ARG . 66.0 m-80 -129.53 91.29 41.46 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.629 0.728 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 27' ' ' ASN . 53.7 Cg_endo -69.71 -21.08 34.22 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.9 mtt -88.76 14.17 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -134.14 125.59 28.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.509 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 46.3 mt -123.57 136.01 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -133.2 -179.65 5.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.2 t -84.92 145.43 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.122 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.463 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -130.73 159.38 37.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.0 m -126.73 108.55 11.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.7 t -59.45 105.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.85 -47.75 12.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -142.24 136.14 29.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.572 HG23 ' HG3' ' A' ' 16' ' ' LYS . 58.7 p -107.57 110.83 22.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.416 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 11.6 t0 -81.41 -175.51 5.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.48 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 5.8 m-20 -50.24 -57.11 8.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.48 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 2.1 m-70 -130.52 28.16 4.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.8 mtm-85 -145.32 168.9 19.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 44' ' ' VAL . 35.2 m -153.05 121.45 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -69.05 108.71 3.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.48 HG12 HD21 ' A' ' 20' ' ' LEU . 16.2 m -95.82 115.51 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.136 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.452 ' CD2' ' C ' ' A' ' 47' ' ' HIS . 3.0 t60 -103.0 132.26 49.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -87.18 103.12 15.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -44.74 106.87 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.42 -45.02 1.31 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 10.9 m0 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.766 0.317 . . . . 0.0 110.943 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.896 0.379 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.06 157.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -159.9 159.69 32.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.416 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 44.4 m95 -83.37 105.82 14.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.735 HG23 HD11 ' A' ' 66' ' ' ILE . 15.8 tt -109.17 142.38 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.607 ' O ' HD12 ' A' ' 66' ' ' ILE . 7.6 m-20 -69.04 125.44 26.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.834 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -57.82 -27.6 63.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.062 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -88.61 1.9 54.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.8 t -61.71 141.0 95.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.699 0.762 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -26.93 26.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.706 2.271 . . . . 0.0 112.311 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.77 -30.0 67.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.836 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.735 HD11 HG23 ' A' ' 59' ' ' ILE . 27.5 mt -65.67 122.93 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 21' ' ' GLU . 71.7 m-70 -128.95 143.82 50.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.581 0.705 . . . . 0.0 110.843 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 158.91 55.3 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.701 2.267 . . . . 0.0 112.322 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.415 HG23 ' C ' ' A' ' 19' ' ' LYS . 15.5 t -51.34 -22.5 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -102.73 42.93 1.78 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.498 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.526 ' CZ3' ' HB2' ' A' ' 77' ' ' HIS . 88.3 t90 -93.81 -50.51 5.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.32 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.1 p -41.35 -36.85 0.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 74' ' ' LYS . 4.9 p -74.92 -62.85 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 73' ' ' SER . 5.9 mtpm? -34.72 -62.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.7 p -75.99 -47.73 23.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.19 29.44 4.27 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.526 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 3.8 m80 -97.82 146.39 31.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.596 0.712 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 135.63 31.01 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.718 2.278 . . . . 0.0 112.349 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.468 HD12 ' O ' ' A' ' 31' ' ' ILE . 32.9 tp -100.14 144.53 29.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -106.32 126.88 29.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.555 0.693 . . . . 0.0 110.949 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 149.29 66.88 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.309 179.925 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.445 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 8.8 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.833 0.349 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.429 ' HG3' ' C ' ' A' ' 14' ' ' PHE . 61.5 mt-30 -148.3 162.5 39.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -89.95 152.91 20.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.0 mttt 66.79 25.16 9.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.9 ptt? -113.01 172.28 7.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -111.08 153.66 25.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.797 HD11 HG22 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -170.41 142.03 2.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.955 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.454 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 78.3 mt-10 -81.22 117.17 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.797 HG22 HD11 ' A' ' 20' ' ' LEU . 85.8 t -111.63 135.09 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.17 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.55 HG22 HG12 ' A' ' 31' ' ' ILE . 92.1 t -78.78 122.8 34.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 27' ' ' ASN . 5.8 t70 -57.43 109.25 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 1.6 mmmm -42.15 -57.78 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -62.37 -29.59 70.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' ASP . 28.4 m-20 -126.3 92.48 45.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.622 0.725 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.417 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 54.5 Cg_endo -69.66 -18.02 37.69 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.728 2.285 . . . . 0.0 112.405 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 55.8 mtm -94.19 14.98 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -135.47 132.77 37.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.55 HG12 HG22 ' A' ' 23' ' ' VAL . 47.0 mt -128.39 141.67 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -142.71 161.63 37.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.5 t -66.09 147.95 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.406 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -133.31 163.38 29.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.1 m -130.86 106.4 8.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.5 t -60.15 103.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.113 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.21 -53.53 6.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -134.88 130.31 35.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.483 HG22 HG12 ' A' ' 44' ' ' VAL . 14.7 p -100.68 113.72 26.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.548 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 12.9 t0 -76.57 -174.82 3.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.0 -37.36 75.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.464 ' H ' ' CD2' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -132.78 10.48 4.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.2 mtt85 -143.92 179.33 7.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.483 HG12 HG22 ' A' ' 39' ' ' THR . 31.0 m -156.95 120.61 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.4 tttm -66.1 120.14 12.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.2 m -103.79 116.24 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -107.87 115.01 29.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.419 ' O ' ' C ' ' A' ' 49' ' ' ASP . 3.9 m-85 -73.49 105.06 4.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 48' ' ' PHE . 26.1 t0 -35.51 122.56 0.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 51' ' ' TRP . . . 93.24 -62.9 2.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.544 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.416 ' C ' ' O ' ' A' ' 50' ' ' GLY . 33.9 m95 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.754 0.311 . . . . 0.0 110.936 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.423 ' O ' ' C ' ' A' ' 56' ' ' ASP . 50.7 m-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.87 0.367 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 55' ' ' TYR . 2.7 m-20 -36.77 147.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -156.67 148.63 22.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.548 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 55.7 m95 -77.46 105.25 8.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.622 HG23 HD11 ' A' ' 66' ' ' ILE . 16.0 tt -106.62 141.41 21.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.607 ' O ' HD12 ' A' ' 66' ' ' ILE . 30.7 m-20 -62.49 131.48 49.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.445 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -65.51 -23.78 66.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -100.69 23.53 10.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.5 t -80.1 141.33 54.15 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.666 0.746 . . . . 0.0 110.84 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -22.06 32.53 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 0.0 112.384 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.529 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.6 m-20 -73.3 -32.78 64.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.656 HG23 HD13 ' A' ' 20' ' ' LEU . 72.2 mt -66.35 128.16 28.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -128.73 143.62 49.22 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.592 0.711 . . . . 0.0 110.848 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 162.12 43.3 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.704 2.27 . . . . 0.0 112.366 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.565 ' O ' HG12 ' A' ' 69' ' ' VAL . 19.8 t -64.75 91.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 132.2 23.9 0.81 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.588 ' CZ3' ' HB2' ' A' ' 77' ' ' HIS . 1.2 t90 -84.4 -10.4 57.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.754 0.312 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.3 p -77.67 -24.49 49.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 74' ' ' LYS . 5.6 t -86.68 -56.68 3.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.547 ' HD3' ' CD1' ' A' ' 71' ' ' TRP . 16.2 ptmt -34.22 -37.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.457 HG22 ' CG ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -113.34 -44.36 3.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 109.6 37.01 1.97 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.588 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 8.4 m80 -91.6 153.26 43.99 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.606 0.717 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 149.2 66.61 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.382 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 31' ' ' ILE . 15.8 tp -133.47 136.29 45.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -104.06 128.05 27.98 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.559 0.695 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 155.52 65.71 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.372 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.159 0 C-N-CA 122.713 2.275 . . . . 0.0 112.285 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.602 ' CE1' ' HB1' ' A' ' 61' ' ' ALA . 7.1 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.835 0.35 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -118.65 157.67 26.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -85.44 148.38 26.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt 69.84 26.61 4.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.463 ' HE2' HG21 ' A' ' 36' ' ' VAL . 12.3 ptt? -109.95 174.72 5.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.463 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 18.0 mmtp -114.77 148.83 37.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.861 HD11 HG22 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -163.5 141.99 7.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.415 ' OE2' HD13 ' A' ' 79' ' ' LEU . 82.5 mt-10 -81.38 114.53 20.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.861 HG22 HD11 ' A' ' 20' ' ' LEU . 59.3 t -108.43 140.46 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.51 HG22 HG12 ' A' ' 31' ' ' ILE . 86.9 t -85.81 115.12 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 27' ' ' ASN . 13.0 t0 -52.81 109.14 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.481 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 1.4 mmmm -42.12 -58.77 2.0 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -60.54 -32.05 71.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 24' ' ' ASP . 3.1 m-20 -126.11 91.36 48.18 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.593 0.711 . . . . 0.0 110.838 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.487 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 54.0 Cg_endo -69.77 -18.7 36.79 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.713 2.275 . . . . 0.0 112.342 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.5 mtm -93.09 14.59 17.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -135.49 120.77 19.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.574 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 41.6 mt -121.52 139.52 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.5 mtt-85 -138.35 177.59 7.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.463 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 99.0 t -80.74 138.75 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.403 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -123.55 166.92 14.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.6 m -133.55 114.14 13.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.463 HG21 ' HE2' ' A' ' 18' ' ' MET . 22.0 t -63.97 102.62 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.16 -44.72 13.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.043 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -136.49 141.53 43.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.8 p -117.0 109.82 17.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.437 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 5.9 t0 -85.5 -175.88 5.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -51.26 -64.91 0.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -120.87 26.38 9.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.6 mtt85 -146.7 169.64 18.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 44' ' ' VAL . 33.7 m -154.93 123.28 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -68.33 112.89 5.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.481 HG12 HD21 ' A' ' 20' ' ' LEU . 14.5 m -97.71 116.97 41.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.082 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -108.42 124.09 49.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.53 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 3.8 m-85 -75.27 100.22 4.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' PHE . 3.6 t70 -37.08 120.2 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.01 -48.73 0.94 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.536 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.53 ' CD1' ' HB3' ' A' ' 48' ' ' PHE . 57.3 m95 . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.333 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.89 0.376 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.06 140.68 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -144.44 151.63 39.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.966 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.437 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 47.8 m95 -77.29 105.53 8.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.807 HG23 HD11 ' A' ' 66' ' ' ILE . 14.3 tt -109.69 144.08 18.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.469 ' O ' HD12 ' A' ' 66' ' ' ILE . 2.8 m-20 -69.27 127.31 32.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.602 ' HB1' ' CE1' ' A' ' 14' ' ' PHE . . . -62.98 -12.97 29.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -106.57 9.05 31.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.7 t -69.4 141.09 90.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.693 0.759 . . . . 0.0 110.818 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -14.16 35.58 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.658 2.238 . . . . 0.0 112.304 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.492 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -79.94 -32.9 40.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.807 HD11 HG23 ' A' ' 59' ' ' ILE . 19.5 mt -66.69 126.38 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 95.2 m-70 -129.2 141.85 43.18 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.605 0.716 . . . . 0.0 110.881 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 156.21 64.08 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.716 2.277 . . . . 0.0 112.366 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.7 t -57.48 104.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.144 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 122.65 9.1 6.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.541 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.574 ' CH2' ' HB2' ' A' ' 77' ' ' HIS . 0.6 OUTLIER -70.76 -14.23 62.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.719 0.295 . . . . 0.0 110.916 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 30.1 p -63.85 -19.88 65.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 74' ' ' LYS . 5.1 m -91.31 -51.9 5.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 73' ' ' SER . 16.4 mtpp -36.63 -63.19 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.8 p -79.76 -47.9 14.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.144 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.93 26.91 3.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.526 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.574 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 9.4 m-70 -97.22 144.66 28.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.614 0.721 . . . . 0.0 110.859 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 144.11 52.78 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.654 2.236 . . . . 0.0 112.309 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.415 HD13 ' OE2' ' A' ' 21' ' ' GLU . 13.5 tp -109.62 142.14 41.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -106.25 133.77 20.08 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.553 0.692 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 156.04 64.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.387 179.91 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.481 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 41.1 m-85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.777 0.323 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -121.84 162.24 21.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.509 ' HG3' HG23 ' A' ' 39' ' ' THR . 22.9 mtmt -92.57 157.31 16.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt 66.93 25.09 9.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.853 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.9 ptt? -115.95 -176.72 3.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 43.9 mmtm -118.45 153.59 33.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.841 HD11 HG22 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -168.42 143.38 3.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 67' ' ' HIS . 90.7 mt-10 -81.31 114.51 20.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.829 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.841 HG22 HD11 ' A' ' 20' ' ' LEU . 58.8 t -110.98 139.27 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.586 HG22 HG12 ' A' ' 31' ' ' ILE . 84.9 t -81.59 124.58 39.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 27' ' ' ASN . 21.1 t0 -63.06 114.3 3.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.511 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 3.1 mmmm -46.1 -58.13 3.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -60.14 -27.82 67.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 24' ' ' ASP . 23.8 m-20 -132.31 91.92 29.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.643 0.735 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.48 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.7 Cg_endo -69.77 -22.59 31.79 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.71 2.273 . . . . 0.0 112.327 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.8 mtt -88.66 15.17 8.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -136.53 127.69 28.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.586 HG12 HG22 ' A' ' 23' ' ' VAL . 37.0 mt -124.84 135.67 63.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.458 ' NH1' ' CZ2' ' A' ' 51' ' ' TRP . 14.8 mtp180 -134.12 176.8 8.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.466 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 55.9 t -74.7 148.85 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -137.76 161.42 36.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.045 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.3 m -130.82 114.92 15.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.6 102.55 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.6 -52.37 8.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -137.16 141.91 42.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.524 HG22 HG12 ' A' ' 44' ' ' VAL . 40.0 p -114.13 111.1 21.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -82.48 -176.55 6.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.487 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 1.2 m-20 -46.92 -63.63 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.487 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 3.2 m-70 -125.03 29.49 6.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -146.0 168.95 19.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.558 HG13 ' HB2' ' A' ' 61' ' ' ALA . 35.0 m -151.99 120.99 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -71.24 110.2 5.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.0 m -93.94 119.39 41.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.151 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -105.3 120.43 41.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.585 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 5.0 m-85 -82.98 92.43 7.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -43.72 132.78 4.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.96 -37.49 3.53 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.51 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.585 ' CD1' ' HB3' ' A' ' 48' ' ' PHE . 11.4 m95 . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.761 0.315 . . . . 0.0 110.921 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.403 ' O ' ' O ' ' A' ' 56' ' ' ASP . 9.5 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.869 0.366 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 55' ' ' TYR . 0.5 OUTLIER -38.53 158.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.851 179.896 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.511 ' CZ ' ' HD3' ' A' ' 25' ' ' LYS . 5.7 p90 -155.56 156.58 35.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 46.4 m95 -79.29 107.54 12.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.974 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.879 HG23 HD11 ' A' ' 66' ' ' ILE . 15.8 tt -112.35 141.21 28.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.651 ' O ' HD12 ' A' ' 66' ' ' ILE . 1.1 m-20 -64.13 129.96 42.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.558 ' HB2' HG13 ' A' ' 44' ' ' VAL . . . -63.45 -24.03 67.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -98.96 19.45 15.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.5 t -78.65 140.69 59.48 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.639 0.733 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -22.9 31.34 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.668 2.245 . . . . 0.0 112.343 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.537 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -72.46 -28.04 62.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.879 HD11 HG23 ' A' ' 59' ' ' ILE . 56.6 mt -75.0 127.57 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.179 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.482 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 90.8 m-70 -129.1 143.29 48.22 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.597 0.713 . . . . 0.0 110.831 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 166.11 28.74 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.649 2.233 . . . . 0.0 112.367 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 37.6 t -65.4 100.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 126.65 13.96 2.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.58 ' CZ3' ' HB2' ' A' ' 77' ' ' HIS . 0.5 OUTLIER -77.79 -16.79 58.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.719 0.295 . . . . 0.0 110.892 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.403 ' HA ' ' CE3' ' A' ' 71' ' ' TRP . 25.4 p -65.05 -31.52 72.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 74' ' ' LYS . 1.5 t -84.53 -63.27 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.464 ' CG ' HG23 ' A' ' 75' ' ' THR . 16.8 ptmt -35.61 -36.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.499 HG21 ' CE2' ' A' ' 71' ' ' TRP . 21.7 p -99.77 -42.28 6.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.58 32.16 4.92 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.58 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 2.6 m80 -102.28 145.24 30.16 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.575 0.702 . . . . 0.0 110.825 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 129.4 17.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.637 2.225 . . . . 0.0 112.319 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.7 tp -100.76 148.2 25.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -120.63 129.76 25.16 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 110.933 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 158.96 55.17 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.656 2.237 . . . . 0.0 112.374 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.217 0 C-N-CA 122.669 2.246 . . . . 0.0 112.319 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.505 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 52.2 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.797 0.332 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -119.86 160.42 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -87.29 160.47 18.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp 62.94 29.92 16.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 16.6 ptt? -121.7 173.08 7.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HB2' HG21 ' A' ' 69' ' ' VAL . 22.4 mmtp -111.15 152.59 26.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.733 HD13 HG23 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -166.57 139.09 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.465 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 61.4 mt-10 -81.48 119.19 23.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.676 HG22 HD11 ' A' ' 20' ' ' LEU . 71.7 t -112.06 130.93 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.16 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.1 t -72.63 114.84 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.468 ' OD1' ' CZ ' ' A' ' 26' ' ' ARG . 7.7 t0 -51.17 111.63 0.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -48.63 -58.87 4.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.468 ' CZ ' ' OD1' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -51.73 -35.13 41.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.448 ' OD1' ' C ' ' A' ' 26' ' ' ARG . 3.9 m-20 -134.87 101.6 11.53 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.664 0.745 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -2.97 11.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.298 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 70.7 mtm -104.86 14.95 28.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -136.63 120.46 17.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.465 ' CG2' ' HB3' ' A' ' 21' ' ' GLU . 51.3 mt -119.86 138.57 50.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.3 mtt85 -135.51 179.29 6.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.42 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 96.5 t -82.23 148.33 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -138.93 145.48 39.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.8 m -115.66 110.21 18.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.03 103.24 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.34 -53.93 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -132.39 133.16 43.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.537 HG22 ' CG1' ' A' ' 44' ' ' VAL . 9.3 p -104.72 109.29 21.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.164 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.533 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 3.2 t70 -73.81 -174.71 1.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.99 -45.57 73.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.54 ' H ' ' CD2' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -124.99 8.3 8.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 40' ' ' ASP . 11.9 mtt85 -141.6 169.96 16.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.537 ' CG1' HG22 ' A' ' 39' ' ' THR . 29.8 m -148.97 119.05 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -62.08 122.51 15.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 46' ' ' VAL . 18.9 m -111.99 114.33 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -98.86 140.33 33.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.589 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 4.9 m-85 -95.35 95.33 8.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 48' ' ' PHE . 11.7 t0 -36.53 135.91 0.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.91 -43.02 3.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.498 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.589 ' CD1' ' HB3' ' A' ' 48' ' ' PHE . 57.6 m95 . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.332 . . . . 0.0 110.879 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.918 0.39 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -39.38 159.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -165.14 153.52 11.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.533 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 58.8 m95 -79.49 104.79 10.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.824 HG23 HD11 ' A' ' 66' ' ' ILE . 15.9 tt -105.48 144.88 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.18 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.03 120.09 13.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.505 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -56.09 -28.6 58.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -93.17 21.31 6.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.9 t -81.61 138.04 47.65 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 110.847 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -16.0 37.18 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.707 2.271 . . . . 0.0 112.326 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.99 -37.53 54.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.824 HD11 HG23 ' A' ' 59' ' ' ILE . 36.4 mt -62.02 123.75 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.523 ' HB3' ' CG ' ' A' ' 71' ' ' TRP . 95.2 m-70 -125.67 147.67 59.23 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.569 0.699 . . . . 0.0 110.863 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 163.66 37.43 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.466 HG21 ' HB2' ' A' ' 19' ' ' LYS . 17.8 t -58.1 -29.35 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.14 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.83 18.76 49.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.534 ' CZ3' ' HB2' ' A' ' 77' ' ' HIS . 87.5 t90 -70.63 -45.46 65.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.745 0.307 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 14.0 p -47.54 -32.5 5.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.1 m -85.78 -59.11 2.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -42.68 -41.98 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.515 HG21 ' CE2' ' A' ' 71' ' ' TRP . 61.6 p -93.14 -55.16 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 110.26 35.82 2.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.44 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.534 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 3.8 m80 -107.52 148.6 37.53 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 128.93 16.74 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 0.0 112.375 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.431 HD13 ' CD ' ' A' ' 21' ' ' GLU . 25.2 tp -95.48 143.84 26.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -101.34 132.89 21.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.576 0.703 . . . . 0.0 110.917 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 149.44 66.63 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.673 2.249 . . . . 0.0 112.304 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 C--O 1.232 0.21 0 C-N-CA 122.724 2.282 . . . . 0.0 112.304 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.681 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 42.1 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.866 0.365 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -121.62 166.61 13.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -89.35 149.68 22.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.0 mttt 68.83 27.62 5.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.416 ' SD ' HG23 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -107.58 179.88 4.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.871 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.479 ' O ' HG23 ' A' ' 69' ' ' VAL . 28.6 mmtt -122.55 138.15 54.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.775 HD13 HG23 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -155.56 140.01 16.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 67' ' ' HIS . 86.7 mt-10 -81.32 116.0 20.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.774 HG22 HD11 ' A' ' 20' ' ' LEU . 95.9 t -108.25 135.61 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.557 HG22 HG12 ' A' ' 31' ' ' ILE . 74.2 t -81.16 123.08 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -60.66 128.97 39.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 26' ' ' ARG . 24.6 mmtt -62.75 -54.33 40.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.601 ' NE ' ' H ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -56.54 -31.81 64.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -135.0 94.03 16.62 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.604 0.716 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -5.18 15.59 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.665 2.243 . . . . 0.0 112.379 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.4 mtm -100.25 9.63 42.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -132.29 136.72 47.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.602 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 20.4 mt -129.18 144.45 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.3 mtt85 -141.69 160.36 40.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.3 t -65.8 145.91 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 20' ' ' LEU . . . -133.57 167.77 19.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.3 m -140.58 116.69 10.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.416 HG23 ' SD ' ' A' ' 18' ' ' MET . 47.5 t -62.53 102.88 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.98 -42.42 17.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.092 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -141.38 133.81 28.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.2 p -107.91 112.79 25.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.556 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 6.5 t70 -88.52 -175.61 5.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -49.21 -63.34 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -124.98 28.45 6.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -146.7 169.97 17.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 44' ' ' VAL . 27.0 m -153.84 118.27 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -64.97 111.1 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.417 HG11 HG21 ' A' ' 22' ' ' VAL . 3.2 m -92.05 121.11 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 32.1 t60 -103.64 117.88 35.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' ASP . 4.2 m-85 -76.81 97.98 4.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' PHE . 26.3 t70 -35.66 138.03 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.47 -68.13 3.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.489 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 62.4 m95 . . . . . 0 C--N 1.327 -0.37 0 CA-C-O 120.836 0.351 . . . . 0.0 110.882 -179.899 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.831 0.348 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.402 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 0.9 OUTLIER -54.99 156.46 3.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -157.09 155.73 31.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.556 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 39.7 m95 -80.8 106.03 12.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.947 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.659 HG23 HD11 ' A' ' 66' ' ' ILE . 14.6 tt -108.57 145.52 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.113 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.726 ' O ' HD12 ' A' ' 66' ' ' ILE . 7.8 m-20 -73.2 126.39 29.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.681 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -59.26 -20.41 54.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -96.65 5.49 50.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.3 t -65.29 142.15 98.38 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.705 0.764 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -26.86 27.17 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.65 2.233 . . . . 0.0 112.384 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.429 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 0.6 OUTLIER -68.89 -36.03 77.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.775 HG23 HD13 ' A' ' 20' ' ' LEU . 56.7 mt -60.92 118.04 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.073 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 98.2 m-70 -121.96 142.02 35.43 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.561 0.696 . . . . 0.0 110.851 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 157.91 58.79 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.667 2.244 . . . . 0.0 112.34 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 19' ' ' LYS . 18.0 t -58.56 104.8 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 121.32 11.51 6.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.451 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.602 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 1.2 t90 -70.27 -14.4 62.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.817 0.342 . . . . 0.0 110.958 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 17.3 p -64.56 -22.42 66.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 74' ' ' LYS . 3.1 m -81.0 -56.3 4.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 73' ' ' SER . 8.2 mtpm? -35.24 -73.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.0 p -73.6 -30.25 62.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.75 26.0 23.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.572 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 0.7 OUTLIER -85.54 144.83 40.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.611 0.72 . . . . 0.0 110.832 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 129.85 18.29 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.695 2.263 . . . . 0.0 112.301 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 22.1 tp -96.44 154.28 17.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -118.1 125.48 27.91 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.526 0.679 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 161.74 44.78 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.233 0.231 0 C-N-CA 122.657 2.238 . . . . 0.0 112.372 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.694 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 46.8 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.824 0.345 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.574 ' O ' HG11 ' A' ' 36' ' ' VAL . 55.0 mt-30 -116.82 179.04 4.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.57 ' HG3' HG23 ' A' ' 39' ' ' THR . 15.4 mtmt -105.02 152.71 22.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 72.0 mttt 66.78 25.09 9.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.45 ' CE ' HG21 ' A' ' 36' ' ' VAL . 11.3 ptt? -113.44 -174.98 2.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -117.47 144.33 45.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.795 HD21 HG12 ' A' ' 46' ' ' VAL . 0.5 OUTLIER -157.82 148.67 21.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.841 ' OE1' HG22 ' A' ' 31' ' ' ILE . 9.3 mm-40 -91.09 140.46 29.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.657 ' CG2' HD11 ' A' ' 20' ' ' LEU . 61.8 t -134.67 138.82 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.576 HG22 HG12 ' A' ' 31' ' ' ILE . 94.4 t -81.34 119.01 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 27' ' ' ASN . 2.4 t70 -52.23 116.03 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -47.32 -58.66 3.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.93 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -62.97 -28.93 70.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.41 ' HA ' ' HD2' ' A' ' 28' ' ' PRO . 3.9 m120 -126.24 91.89 46.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.627 0.727 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.51 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.3 Cg_endo -69.76 -5.66 16.75 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.725 2.283 . . . . 0.0 112.342 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 20.4 mtt -106.01 11.59 31.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -136.51 126.7 26.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.841 HG22 ' OE1' ' A' ' 21' ' ' GLU . 14.5 mt -121.92 139.69 48.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.161 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.449 ' C ' ' OE1' ' A' ' 21' ' ' GLU . 66.9 mtt85 -131.2 153.16 49.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.485 HG22 ' OE2' ' A' ' 21' ' ' GLU . 75.9 t -62.2 146.29 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.517 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -131.41 172.93 11.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.8 m -137.67 112.21 8.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.574 HG11 ' O ' ' A' ' 15' ' ' GLN . 21.7 t -62.48 104.11 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.81 -41.73 17.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -148.0 136.61 21.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.57 HG23 ' HG3' ' A' ' 16' ' ' LYS . 78.1 p -109.16 113.0 25.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.137 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.455 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 9.9 t70 -84.35 -179.38 7.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -42.74 -57.58 2.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -133.19 32.61 3.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -147.53 169.68 19.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 44' ' ' VAL . 26.9 m -152.46 118.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -66.59 104.28 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.795 HG12 HD21 ' A' ' 20' ' ' LEU . 11.5 m -88.45 113.18 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -101.09 116.04 31.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -75.41 106.39 6.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -43.62 127.81 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.88 -58.93 3.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.443 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 67.1 m95 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.822 0.344 . . . . 0.0 110.873 -179.852 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 56' ' ' ASP . 35.4 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.901 0.382 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -34.94 151.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 179.885 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -160.93 154.0 21.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.455 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 52.9 m95 -77.09 105.54 8.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.946 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.86 HG23 HD11 ' A' ' 66' ' ' ILE . 17.0 tt -111.57 143.29 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.77 ' O ' HD12 ' A' ' 66' ' ' ILE . 78.8 m-20 -66.14 125.33 25.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.694 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -59.45 -26.73 65.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -92.49 6.91 45.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.4 t -59.72 139.17 89.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.676 0.751 . . . . 0.0 110.868 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -15.14 36.87 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.709 2.273 . . . . 0.0 112.301 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.57 -32.78 21.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.86 HD11 HG23 ' A' ' 59' ' ' ILE . 56.3 mt -65.1 124.71 20.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 21' ' ' GLU . 99.0 m-70 -126.97 142.15 42.79 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.606 0.717 . . . . 0.0 110.854 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 153.26 69.28 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.4 t -48.01 -20.66 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.96 33.09 6.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.571 ' CH2' ' HB2' ' A' ' 77' ' ' HIS . 64.9 t90 -94.74 -50.63 5.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.782 0.325 . . . . 0.0 110.967 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.0 p -41.9 -42.51 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 74' ' ' LYS . 36.9 m -78.42 -57.7 3.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 73' ' ' SER . 23.5 mtpp -36.96 -55.19 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.7 p -83.5 -44.7 14.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.16 27.76 5.77 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.538 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.571 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 9.9 m-70 -93.3 145.17 29.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.624 0.726 . . . . 0.0 110.805 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 122.84 9.53 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.534 HD21 ' OE2' ' A' ' 21' ' ' GLU . 21.8 tp -94.04 152.36 18.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -115.1 134.49 22.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.585 0.707 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.55 68.25 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.338 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.22 0 C-N-CA 122.706 2.271 . . . . 0.0 112.347 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.45 ' CZ ' HG21 ' A' ' 66' ' ' ILE . 16.6 m-85 . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.815 0.341 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -120.57 162.3 19.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -87.47 149.99 24.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.6 mttp 68.88 25.79 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.544 ' CE ' HG21 ' A' ' 36' ' ' VAL . 12.2 ptt? -110.8 173.78 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.459 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 40.1 mmtm -114.55 149.19 36.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.872 HD11 HG22 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -164.2 140.51 6.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 67' ' ' HIS . 84.5 mt-10 -81.34 116.81 21.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.872 HG22 HD11 ' A' ' 20' ' ' LEU . 59.8 t -110.35 138.92 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.119 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.495 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 98.6 t -81.98 114.3 22.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 27' ' ' ASN . 19.7 t0 -52.72 109.38 0.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.476 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 1.7 mmmm -43.3 -58.94 2.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -57.86 -34.53 69.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 24' ' ' ASP . 1.6 m-20 -126.98 90.59 49.1 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.495 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.7 Cg_endo -69.75 -14.81 36.65 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.362 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -92.35 11.96 24.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -135.22 135.59 41.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.826 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.559 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 34.1 mt -129.27 143.45 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 -140.82 178.24 7.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.459 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 76.0 t -85.2 137.2 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.434 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -121.3 161.71 21.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.4 m -129.96 106.11 8.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.13 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.544 HG21 ' CE ' ' A' ' 18' ' ' MET . 11.7 t -56.95 104.0 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.12 -49.47 8.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -135.74 134.63 39.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.2 p -107.05 110.71 22.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 43' ' ' ARG . 12.4 t0 -75.55 -174.76 2.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.824 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.86 -39.2 83.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.476 ' H ' ' CD2' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -132.24 9.76 4.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 40' ' ' ASP . 17.0 mtt85 -142.25 173.4 11.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 44' ' ' VAL . 31.1 m -152.66 118.93 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.178 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -64.2 119.17 9.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.6 m -103.91 117.09 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -104.72 121.08 42.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -76.91 115.31 16.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -49.49 125.53 11.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.78 -45.34 2.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.45 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 11.8 m0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 110.916 -179.903 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 56' ' ' ASP . 74.0 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.897 0.379 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 55' ' ' TYR . 2.8 m-20 -36.53 147.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.416 ' CZ ' ' HD3' ' A' ' 25' ' ' LYS . 4.1 p90 -156.42 145.99 20.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.975 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.488 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 50.9 m95 -72.65 105.37 4.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.781 HG23 HD11 ' A' ' 66' ' ' ILE . 14.1 tt -107.39 142.43 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.611 ' O ' HD12 ' A' ' 66' ' ' ILE . 6.4 m-20 -65.65 129.55 40.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.07 -27.31 68.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.68 23.26 8.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.8 t -78.89 141.53 59.3 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.661 0.743 . . . . 0.0 110.828 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -22.55 31.71 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.326 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.44 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 0.1 OUTLIER -74.9 -33.13 61.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.781 HD11 HG23 ' A' ' 59' ' ' ILE . 33.0 mt -64.56 123.74 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.522 ' HB3' ' CD1' ' A' ' 71' ' ' TRP . 85.0 m-70 -128.88 143.39 48.47 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.611 0.719 . . . . 0.0 110.842 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 158.43 57.02 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.347 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.445 HG21 ' HB2' ' A' ' 19' ' ' LYS . 17.5 t -50.2 -24.69 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -96.59 38.08 3.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.559 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 84.4 t90 -94.01 -61.44 1.53 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.756 0.312 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 30.1 p -41.13 -24.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' TRP . 47.7 m -91.18 -61.43 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.551 ' HE2' ' CD1' ' A' ' 71' ' ' TRP . 26.4 pttt -46.38 -33.54 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.45 HG21 ' CE2' ' A' ' 71' ' ' TRP . 36.1 p -99.8 -15.45 18.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.95 25.15 75.94 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.545 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 8.6 m-70 -91.53 151.13 42.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 141.45 44.93 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.0 tp -116.49 155.6 28.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -115.06 131.84 23.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.728 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 149.32 66.79 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.731 2.287 . . . . 0.0 112.377 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.193 0 C-N-CA 122.709 2.273 . . . . 0.0 112.331 179.952 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.817 0.341 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -139.72 165.42 27.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -93.18 156.3 16.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.5 mttm 63.97 27.27 14.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.3 ptt? -113.97 172.52 6.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.881 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.443 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 35.6 mmtm -110.03 146.59 35.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.792 HD11 HG22 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -164.07 141.0 6.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.471 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 81.2 mt-10 -81.64 116.26 21.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.792 HG22 HD11 ' A' ' 20' ' ' LEU . 87.1 t -109.2 139.45 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.15 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 65' ' ' ASP . 93.8 t -80.06 115.25 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -53.25 115.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 10.8 mmmt -51.25 -58.4 6.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -56.18 -30.93 62.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.416 ' HA ' ' HD2' ' A' ' 28' ' ' PRO . 1.2 m-20 -131.84 92.71 29.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.658 0.742 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 27' ' ' ASN . 53.6 Cg_endo -69.74 -4.69 14.52 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 35.5 mtm -103.1 12.02 36.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -135.41 131.62 36.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.496 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 39.5 mt -127.91 136.55 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.189 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.6 mtt85 -137.97 165.14 27.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.443 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 86.2 t -66.08 144.12 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.446 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -128.99 172.46 11.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.113 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.3 m -138.09 112.4 8.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.8 t -66.92 104.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.11 -43.67 23.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.044 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -148.86 142.89 25.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.502 HG22 HG12 ' A' ' 44' ' ' VAL . 65.2 p -112.32 116.05 29.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.484 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 6.2 t70 -86.69 -176.47 5.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -44.48 -61.09 1.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -129.06 27.98 5.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.1 mtm-85 -141.89 170.05 16.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.502 HG12 HG22 ' A' ' 39' ' ' THR . 22.8 m -153.79 118.68 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -67.12 108.71 2.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.476 HG12 HD21 ' A' ' 20' ' ' LEU . 8.7 m -98.85 116.46 41.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -104.96 132.6 51.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -87.21 130.8 34.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -79.67 141.87 36.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.62 -30.01 3.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.514 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 15.4 m0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 110.934 -179.918 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.457 ' O ' ' C ' ' A' ' 56' ' ' ASP . 76.4 m-85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.919 0.39 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.457 ' C ' ' O ' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -33.96 130.03 0.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -143.19 149.3 37.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.484 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 51.6 m95 -80.15 105.06 11.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.953 HG23 HD11 ' A' ' 66' ' ' ILE . 14.0 tt -107.25 136.11 43.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.72 124.77 21.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.25 -20.69 63.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.054 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -95.99 6.11 49.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.5 t -69.09 136.45 89.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.667 0.746 . . . . 0.0 110.893 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -9.66 26.68 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.753 2.302 . . . . 0.0 112.371 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.65 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -80.07 -31.89 39.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.953 HD11 HG23 ' A' ' 59' ' ' ILE . 41.5 mt -71.64 130.96 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.473 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 94.8 m-70 -129.14 143.11 47.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.586 0.707 . . . . 0.0 110.85 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 158.24 57.61 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.409 ' O ' HG12 ' A' ' 69' ' ' VAL . 15.0 t -59.28 101.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 122.16 16.2 4.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 77' ' ' HIS . 1.7 t90 -74.18 -18.75 60.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.769 0.318 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.1 p -54.82 -40.89 70.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 74' ' ' LYS . 38.2 t -77.06 -48.94 16.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' SER . 24.6 mtpp -37.17 -61.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.6 p -83.74 -44.17 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.2 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.88 28.53 3.12 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.568 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 8.1 m80 -102.29 143.51 26.75 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.585 0.707 . . . . 0.0 110.837 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 137.72 36.13 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.4 tp -102.68 138.97 38.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -100.57 130.98 24.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.615 0.722 . . . . 0.0 110.935 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 150.27 68.06 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.172 0 C-N-CA 122.656 2.238 . . . . 0.0 112.387 179.912 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.503 ' CE2' HG21 ' A' ' 66' ' ' ILE . 40.0 m-85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.794 0.331 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -125.11 170.16 11.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.469 ' CE ' ' HA ' ' A' ' 38' ' ' ASP . 19.1 mttt -89.39 147.64 23.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.0 mttt 67.94 33.56 4.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 10.0 ptt? -120.19 174.81 6.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.545 ' O ' HG23 ' A' ' 69' ' ' VAL . 20.0 mmtp -111.11 147.67 34.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.684 HD11 ' CG2' ' A' ' 22' ' ' VAL . 0.4 OUTLIER -164.66 139.55 5.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.474 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 89.0 mt-10 -84.53 123.66 30.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.684 ' CG2' HD11 ' A' ' 20' ' ' LEU . 70.9 t -116.54 139.42 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 65' ' ' ASP . 95.5 t -79.09 118.94 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -56.83 106.94 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -42.17 -58.37 2.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.7 ptt85 -54.3 -41.04 68.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -126.98 95.96 35.74 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.634 0.731 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.47 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 54.5 Cg_endo -69.72 -3.11 11.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.262 . . . . 0.0 112.398 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -101.9 12.31 37.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -136.25 122.06 19.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.566 ' CD1' ' CH2' ' A' ' 71' ' ' TRP . 34.3 mt -121.09 138.15 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -137.66 168.22 20.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.461 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 59.3 t -74.21 139.8 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.404 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -123.23 174.2 7.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.8 m -138.63 112.16 8.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.154 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.1 t -64.35 103.98 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.27 -45.76 19.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.469 ' HA ' ' CE ' ' A' ' 16' ' ' LYS . 5.8 t0 -146.85 138.62 24.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 70.4 p -104.42 109.29 21.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.502 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 2.0 t70 -77.2 179.06 6.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -47.76 -57.22 5.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -128.28 17.78 6.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 40' ' ' ASP . 37.4 mtt85 -138.69 170.99 15.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.8 m -150.16 131.29 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.146 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -76.79 107.59 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.531 HG12 HD21 ' A' ' 20' ' ' LEU . 12.5 m -93.0 113.74 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -105.36 125.54 51.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -81.56 117.11 21.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -47.57 117.47 1.83 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.92 -40.83 2.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 12.3 m0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.31 . . . . 0.0 110.964 -179.952 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.443 ' O ' ' C ' ' A' ' 56' ' ' ASP . 10.1 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.875 0.369 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 55' ' ' TYR . 2.2 m-20 -34.21 148.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.902 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -154.9 148.23 25.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.502 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 46.1 m95 -75.66 105.16 6.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.496 HG23 HD11 ' A' ' 66' ' ' ILE . 16.2 tt -107.62 143.6 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 63' ' ' SER . 4.7 m-20 -72.32 121.69 19.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.24 -37.82 65.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -72.48 1.99 7.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 60' ' ' ASP . 20.5 t -67.75 133.73 92.38 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.712 0.767 . . . . 0.0 110.841 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -23.81 30.62 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.473 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -65.67 -34.24 77.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.592 HG23 HD13 ' A' ' 20' ' ' LEU . 83.4 mt -63.29 130.46 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.484 ' HB3' ' CG ' ' A' ' 71' ' ' TRP . 87.5 m-70 -129.11 142.32 44.79 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.544 0.688 . . . . 0.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 153.96 68.41 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 19' ' ' LYS . 10.6 t -45.68 -29.12 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.143 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.31 45.56 1.54 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.566 ' CH2' ' CD1' ' A' ' 31' ' ' ILE . 81.3 t90 -95.14 -53.31 3.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.789 0.328 . . . . 0.0 110.921 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 71' ' ' TRP . 32.0 p -35.85 -39.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 74' ' ' LYS . 13.3 p -72.66 -64.56 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' SER . 14.7 mtpp -34.28 -66.94 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.6 p -75.44 -20.06 59.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.9 33.38 57.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.519 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.434 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 5.1 m-70 -99.06 150.98 37.2 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 0.0 110.826 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 148.57 64.95 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.306 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.451 HD12 ' O ' ' A' ' 31' ' ' ILE . 29.7 tp -118.66 150.16 40.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -108.98 132.15 21.36 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.556 0.693 . . . . 0.0 110.96 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 149.73 67.45 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.349 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.38 179.918 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.604 ' CE2' HG21 ' A' ' 66' ' ' ILE . 18.9 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.815 0.34 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -125.88 174.6 8.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.61 ' HG3' HG23 ' A' ' 39' ' ' THR . 25.5 mtmt -102.25 156.14 17.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.4 mtmt 66.18 25.24 10.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 15.7 ptt? -113.28 172.5 6.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.665 ' NZ ' HG11 ' A' ' 33' ' ' VAL . 20.9 mmtp -112.37 145.99 39.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.828 HD13 HG23 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -163.99 140.76 6.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.466 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 69.9 mt-10 -81.3 115.43 20.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.663 HG22 HD11 ' A' ' 20' ' ' LEU . 73.3 t -108.31 146.63 13.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 54.2 t -85.63 118.25 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.122 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -51.13 134.23 27.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -69.69 -38.9 77.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.779 ' HE ' ' N ' ' A' ' 26' ' ' ARG . 0.8 OUTLIER -66.68 -38.26 86.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -138.51 104.99 7.69 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.579 0.704 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.472 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 54.2 Cg_endo -69.7 -3.03 11.16 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.347 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.2 mmt -97.17 8.25 44.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -131.24 133.45 45.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.644 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 23.7 mt -129.1 140.7 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.088 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.451 ' NH2' ' O ' ' A' ' 81' ' ' PRO . 17.2 mtp85 -141.23 171.92 13.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.819 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.665 HG11 ' NZ ' ' A' ' 19' ' ' LYS . 68.4 t -72.18 145.85 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 20' ' ' LEU . . . -131.23 168.9 16.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 84.8 m -139.68 107.2 5.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.9 t -62.22 102.83 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.106 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.94 -47.6 16.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -140.56 145.33 36.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.806 HG22 HG12 ' A' ' 44' ' ' VAL . 74.5 p -115.97 121.32 41.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.521 ' OD1' ' CH2' ' A' ' 58' ' ' TRP . 5.8 m-20 -92.49 -175.24 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -45.77 -63.3 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -127.01 32.11 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.9 mtt85 -146.5 168.35 21.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.806 HG12 HG22 ' A' ' 39' ' ' THR . 4.2 m -151.24 118.31 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -65.61 109.45 2.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 46' ' ' VAL . 15.9 m -99.1 114.5 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -101.26 138.83 37.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -94.28 102.64 14.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -45.17 123.69 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 103.3 -45.82 1.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 30.0 m95 . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 120.831 0.348 . . . . 0.0 110.884 -179.905 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.449 ' O ' ' C ' ' A' ' 56' ' ' ASP . 35.3 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.859 0.361 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 55' ' ' TYR . 17.9 m-20 -34.41 144.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -150.68 155.89 40.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.521 ' CH2' ' OD1' ' A' ' 40' ' ' ASP . 47.8 m95 -86.15 105.54 16.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.611 HG23 HD11 ' A' ' 66' ' ' ILE . 16.2 tt -105.23 144.29 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.78 125.1 24.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.09 -24.86 64.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -94.54 17.14 13.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.1 t -81.64 136.8 48.1 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.63 0.729 . . . . 0.0 110.875 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -16.63 37.55 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.374 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.41 -32.94 70.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.828 HG23 HD13 ' A' ' 20' ' ' LEU . 66.5 mt -68.06 129.08 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 93.3 m-70 -129.09 142.74 46.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.609 0.719 . . . . 0.0 110.871 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 158.91 55.36 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.695 2.263 . . . . 0.0 112.339 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.5 t -60.16 103.48 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.089 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 123.77 6.7 7.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.644 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 3.0 t90 -66.56 -14.65 62.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.336 . . . . 0.0 110.969 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 16.7 p -70.02 -24.64 63.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.1 m -88.93 -50.44 6.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -39.26 -65.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.8 p -77.64 -43.17 32.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 110.08 29.11 3.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.479 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 4.1 m80 -94.19 145.83 30.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.582 0.706 . . . . 0.0 110.835 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 139.07 39.33 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.638 2.225 . . . . 0.0 112.37 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.4 tp -108.21 140.46 41.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.952 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -105.9 127.45 28.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.628 0.728 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.451 ' O ' ' NH2' ' A' ' 32' ' ' ARG . 53.6 Cg_endo -69.8 154.73 67.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.325 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.84 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 32.0 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.785 0.326 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -115.56 166.15 12.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.541 ' HG3' HG23 ' A' ' 39' ' ' THR . 15.2 mtmt -94.0 154.45 17.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.6 mttm 68.4 24.98 7.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.915 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 11.7 ptt? -114.19 178.14 4.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.424 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 21.6 mmtm -115.19 152.61 32.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.945 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.93 HD11 HG22 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -167.0 140.71 3.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.431 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 75.1 mt-10 -81.16 117.47 21.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.93 HG22 HD11 ' A' ' 20' ' ' LEU . 42.7 t -113.08 142.1 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.558 HG22 HG12 ' A' ' 31' ' ' ILE . 92.0 t -83.56 118.08 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -56.12 121.25 8.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -54.17 -58.26 8.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.519 ' NH1' ' CE1' ' A' ' 55' ' ' TYR . 7.6 ptm180 -53.03 -35.88 59.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -133.0 96.06 18.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.475 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.6 Cg_endo -69.74 -9.74 26.87 Favored 'Trans proline' 0 N--CA 1.466 -0.128 0 C-N-CA 122.738 2.292 . . . . 0.0 112.35 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.4 mtt -94.84 13.39 24.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -135.84 129.44 32.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.558 HG12 HG22 ' A' ' 23' ' ' VAL . 28.9 mt -125.0 130.2 73.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -130.18 168.92 16.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.424 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 50.2 t -69.94 150.15 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -136.85 167.37 21.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.5 m -135.09 112.51 10.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.7 t -60.71 103.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.23 -55.36 5.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.092 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.414 ' HB3' ' CH2' ' A' ' 58' ' ' TRP . 2.3 t70 -139.26 135.43 33.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.541 HG23 ' HG3' ' A' ' 16' ' ' LYS . 70.3 p -104.85 110.38 22.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.479 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 9.9 t0 -83.62 -178.22 6.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.42 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 27.8 m-20 -41.57 -68.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.42 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 2.3 m-70 -123.9 33.44 5.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.3 mtt85 -148.13 173.57 12.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 44' ' ' VAL . 34.6 m -156.66 121.19 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -72.41 103.85 3.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.42 HG12 HD21 ' A' ' 20' ' ' LEU . 5.9 m -82.72 120.68 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -103.87 119.08 38.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.825 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.798 ' CD2' ' CZ2' ' A' ' 51' ' ' TRP . 83.6 m-85 -85.75 103.64 14.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -57.54 126.92 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.71 -42.18 1.97 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.798 ' CZ2' ' CD2' ' A' ' 48' ' ' PHE . 18.9 m0 . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 120.727 0.298 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.519 ' CE1' ' NH1' ' A' ' 26' ' ' ARG . 7.3 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.914 0.388 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 55' ' ' TYR . 0.6 OUTLIER -34.55 150.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -152.88 167.51 28.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.479 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 53.6 m95 -84.13 105.89 15.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.867 HG23 HD11 ' A' ' 66' ' ' ILE . 16.9 tt -111.34 143.04 21.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.162 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.773 ' O ' HD12 ' A' ' 66' ' ' ILE . 2.2 m-20 -66.01 127.81 33.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.84 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -61.71 -25.46 67.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.89 14.57 21.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 t -72.95 140.95 81.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.617 0.722 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -20.14 35.55 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.45 -28.8 52.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.867 HD11 HG23 ' A' ' 59' ' ' ILE . 54.2 mt -71.67 124.13 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 98.2 m-70 -125.72 142.55 42.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.714 . . . . 0.0 110.868 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 164.95 32.65 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.322 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 69' ' ' VAL . 27.1 t -64.97 97.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.79 18.01 2.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.515 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.517 ' CH2' ' HB2' ' A' ' 77' ' ' HIS . 1.4 t90 -76.1 -23.77 54.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.783 0.325 . . . . 0.0 110.93 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.428 ' HA ' ' CE3' ' A' ' 71' ' ' TRP . 26.9 p -50.89 -43.05 59.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 74' ' ' LYS . 3.8 m -72.26 -51.52 20.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 73' ' ' SER . 47.2 mtpt -35.18 -65.45 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.7 p -78.21 -47.33 18.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.04 32.68 1.8 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.519 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.517 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 0.6 OUTLIER -108.69 149.66 39.75 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.563 0.697 . . . . 0.0 110.85 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 147.35 62.7 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.679 2.253 . . . . 0.0 112.394 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.3 tp -114.83 147.14 40.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -112.29 131.52 22.54 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.547 0.689 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.37 60.63 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.648 2.232 . . . . 0.0 112.392 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.233 0.227 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.786 0.327 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -128.36 161.95 28.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.435 ' NZ ' ' HB2' ' A' ' 16' ' ' LYS . 1.7 mtmp? -90.71 163.82 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? 61.81 25.15 15.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -114.75 -178.5 3.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.622 ' O ' HG23 ' A' ' 69' ' ' VAL . 40.9 mmtm -119.81 147.6 44.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.968 HD11 HG22 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -159.57 139.59 11.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.515 ' OE1' HD13 ' A' ' 79' ' ' LEU . 52.1 mt-10 -81.03 115.69 20.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.968 HG22 HD11 ' A' ' 20' ' ' LEU . 21.7 t -109.84 147.64 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.496 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 98.9 t -90.67 114.26 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 27' ' ' ASN . 21.1 t0 -52.86 107.99 0.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 10.6 mmmt -42.04 -52.49 4.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -63.27 -28.23 69.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' ASP . 48.9 m-20 -131.24 91.3 35.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.496 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.8 Cg_endo -69.77 -7.17 20.38 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.692 2.261 . . . . 0.0 112.307 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 26.0 mmt -105.55 14.38 28.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -136.57 127.19 27.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.517 ' O ' HD12 ' A' ' 79' ' ' LEU . 43.0 mt -122.92 133.92 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -127.35 -175.0 3.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.479 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 25.4 t -87.9 142.1 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.16 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -131.72 162.01 31.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.5 m -133.17 114.8 14.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.138 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.9 t -60.06 102.47 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.32 -54.43 6.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -139.59 133.37 30.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.736 HG22 HG12 ' A' ' 44' ' ' VAL . 49.1 p -102.87 109.26 20.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 43' ' ' ARG . 29.7 m-20 -83.97 -177.29 6.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.578 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 26.1 m-20 -38.3 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.578 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 3.9 m-70 -121.04 34.23 5.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 40' ' ' ASP . 24.4 mtt85 -148.55 161.72 41.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.736 HG12 HG22 ' A' ' 39' ' ' THR . 22.3 m -142.93 117.86 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -66.22 108.03 2.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.536 HG12 HD21 ' A' ' 20' ' ' LEU . 8.4 m -89.2 113.26 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.439 ' ND1' ' OD2' ' A' ' 56' ' ' ASP . 7.7 t60 -101.12 118.17 36.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.595 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 7.5 m-85 -83.17 112.26 19.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 82' ' ' PRO . 1.6 t70 -61.61 134.15 56.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.67 -41.36 2.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.595 ' CD1' ' HB3' ' A' ' 48' ' ' PHE . 18.1 m95 . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.811 0.338 . . . . 0.0 110.908 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.906 0.384 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.439 ' OD2' ' ND1' ' A' ' 47' ' ' HIS . 0.9 OUTLIER -39.15 159.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -155.34 162.66 40.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -82.08 105.54 13.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.828 HG23 HD11 ' A' ' 66' ' ' ILE . 16.1 tt -110.69 145.09 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.135 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.736 ' O ' HD12 ' A' ' 66' ' ' ILE . 3.7 m-20 -70.66 126.46 29.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.38 -22.62 54.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -92.08 -2.86 56.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.0 t -54.82 137.02 64.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.652 0.739 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -18.31 37.24 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.622 2.215 . . . . 0.0 112.358 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.452 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.4 OUTLIER -79.77 -26.86 40.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.828 HD11 HG23 ' A' ' 59' ' ' ILE . 68.9 mt -71.26 126.18 31.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.509 ' HB3' ' CG ' ' A' ' 71' ' ' TRP . 91.5 m-70 -129.16 145.54 57.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.64 0.733 . . . . 0.0 110.863 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 158.79 55.69 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.654 2.236 . . . . 0.0 112.314 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 19' ' ' LYS . 41.8 t -50.48 -30.53 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.02 40.46 2.54 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.453 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.708 ' CE2' HG21 ' A' ' 75' ' ' THR . 70.3 t90 -91.03 -51.69 5.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.792 0.33 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 71' ' ' TRP . 31.9 p -35.94 -39.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 74' ' ' LYS . 66.7 m -68.3 -66.28 0.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 73' ' ' SER . 24.0 mttt -33.64 -70.71 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.708 HG21 ' CE2' ' A' ' 71' ' ' TRP . 1.5 p -68.77 -41.72 78.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.181 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.61 31.61 7.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.479 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.568 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 1.0 OUTLIER -97.17 145.6 29.9 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.836 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 123.81 10.48 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.653 2.235 . . . . 0.0 112.393 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.517 HD12 ' O ' ' A' ' 31' ' ' ILE . 32.8 tp -90.79 145.96 24.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -116.02 134.28 22.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.623 0.725 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 168.72 20.83 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.425 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 54.0 Cg_endo . . . . . 0 C--O 1.233 0.228 0 C-N-CA 122.692 2.261 . . . . 0.0 112.394 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.729 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 12.3 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.788 0.328 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -120.53 158.27 27.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -90.89 149.41 21.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.7 mttm 71.38 27.58 3.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.8 ptt? -111.62 177.85 4.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.485 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 39.2 mmtt -118.34 143.17 46.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.735 HD13 HG23 ' A' ' 66' ' ' ILE . 0.5 OUTLIER -160.82 142.39 12.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.972 179.891 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.471 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 94.2 mt-10 -84.73 117.77 24.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.665 ' CG2' HD11 ' A' ' 20' ' ' LEU . 69.2 t -108.92 142.41 21.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.072 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.588 HG22 HG12 ' A' ' 31' ' ' ILE . 94.2 t -88.53 116.45 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -53.46 118.69 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 10.5 mmmt -51.89 -58.24 7.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -32.58 67.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -128.61 93.33 38.08 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.648 0.737 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -4.13 13.43 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.576 ' HG2' ' CD1' ' A' ' 30' ' ' PHE . 1.2 pmm? -107.81 16.69 23.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.576 ' CD1' ' HG2' ' A' ' 29' ' ' MET . 34.8 m-85 -134.95 112.01 10.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.588 HG12 HG22 ' A' ' 23' ' ' VAL . 44.4 mt -112.24 131.28 64.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.443 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 62.5 mtt85 -130.29 165.91 21.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.485 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 24.8 t -70.09 141.01 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 20' ' ' LEU . . . -127.41 163.72 23.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.4 m -137.63 109.97 7.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.6 t -58.96 102.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.55 -50.29 8.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -138.1 130.13 28.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.834 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.3 p -99.74 109.97 22.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 9.2 t0 -76.95 -175.03 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.578 ' OD1' ' CD2' ' A' ' 42' ' ' HIS . 1.0 OUTLIER -49.33 -58.17 5.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.578 ' CD2' ' OD1' ' A' ' 41' ' ' ASP . 8.1 m-70 -125.26 -5.94 7.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 40' ' ' ASP . 52.4 mtt180 -112.38 166.88 10.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.502 HG13 ' HB2' ' A' ' 61' ' ' ALA . 34.8 m -147.21 124.64 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -68.13 121.02 15.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 m -107.84 115.29 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -102.71 130.38 49.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' A' ' 32' ' ' ARG . 3.4 m-85 -84.66 105.86 15.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -39.9 122.2 1.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.4 -63.27 1.17 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 70.7 m95 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.763 0.316 . . . . 0.0 110.931 -179.943 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.874 0.369 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -41.72 156.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -161.53 150.28 15.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.562 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 50.0 m95 -75.26 107.65 7.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.587 HG23 HD11 ' A' ' 66' ' ' ILE . 16.6 tt -111.95 146.63 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.118 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.577 ' O ' HD12 ' A' ' 66' ' ' ILE . 12.2 m-20 -69.23 125.34 26.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.729 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -62.59 -12.81 25.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -102.59 2.82 36.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.2 t -67.45 141.9 95.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.66 0.743 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -28.03 25.49 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.358 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.04 -36.16 80.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.735 HG23 HD13 ' A' ' 20' ' ' LEU . 97.0 mt -64.0 122.34 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 97.1 m-70 -123.96 142.99 41.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.553 0.692 . . . . 0.0 110.894 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.77 59.25 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.329 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.432 HG23 ' HA ' ' A' ' 20' ' ' LEU . 16.0 t -59.17 103.89 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.86 5.42 6.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.547 ' CH2' ' HB2' ' A' ' 77' ' ' HIS . 1.5 t90 -66.86 -16.19 64.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.755 0.312 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 21.3 p -61.88 -30.22 70.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 74' ' ' LYS . 21.3 m -83.96 -53.73 5.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 73' ' ' SER . 39.0 mtmt -35.2 -67.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.7 p -74.58 -42.76 58.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.51 30.66 3.72 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.547 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 5.0 m80 -102.13 144.62 28.95 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.639 0.733 . . . . 0.0 110.815 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 136.38 32.89 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.723 2.282 . . . . 0.0 112.33 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.1 tp -99.94 146.21 26.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -107.92 127.65 27.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.639 0.733 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 164.29 35.09 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.357 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.188 0 C-N-CA 122.713 2.275 . . . . 0.0 112.369 179.914 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.617 ' CE2' HG21 ' A' ' 66' ' ' ILE . 21.1 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -132.05 172.69 12.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -94.98 149.61 21.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt 69.33 27.83 4.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -115.0 -176.88 3.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.486 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 44.2 mmtm -122.01 150.23 42.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.918 HD11 HG22 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -165.66 141.07 5.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 67' ' ' HIS . 75.8 mt-10 -81.72 117.67 22.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.918 HG22 HD11 ' A' ' 20' ' ' LEU . 41.3 t -112.71 144.02 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.495 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 90.4 t -85.53 128.16 39.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 27' ' ' ASN . 12.4 t0 -67.58 113.1 5.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 7.9 mmmt -45.4 -55.47 6.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 26' ' ' ARG . 0.2 OUTLIER -63.52 -29.19 70.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 24' ' ' ASP . 28.8 m-20 -131.66 90.82 35.68 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.656 0.741 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.495 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.7 Cg_endo -69.75 -20.23 35.15 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.633 2.222 . . . . 0.0 112.342 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.9 ptp -89.2 14.84 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -135.98 129.32 31.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.722 ' O ' HD12 ' A' ' 79' ' ' LEU . 53.5 mt -127.11 134.61 65.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.153 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.7 mtt-85 -130.5 -176.03 3.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.486 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 96.6 t -85.82 143.39 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.413 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -132.52 145.09 50.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.3 m -116.82 113.57 22.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.8 t -60.47 102.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.96 -48.06 15.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -137.26 138.94 40.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.601 HG22 HG12 ' A' ' 44' ' ' VAL . 1.7 p -109.72 109.44 20.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 12.3 t0 -76.29 -174.69 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.1 -36.82 72.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.446 ' H ' ' CD2' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -134.17 11.92 3.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.827 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' ASP . 11.9 mtt85 -146.18 172.02 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.601 HG12 HG22 ' A' ' 39' ' ' THR . 28.0 m -150.22 117.77 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -63.66 114.58 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.5 m -100.54 119.7 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 37.9 t60 -106.01 140.41 39.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.589 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 4.5 m-85 -95.57 105.0 16.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -43.46 124.83 3.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.75 -40.64 2.59 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.589 ' CD1' ' HB3' ' A' ' 48' ' ' PHE . 25.7 m95 . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 56' ' ' ASP . 98.1 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.828 0.346 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -34.69 130.19 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -144.1 156.01 44.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.571 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 52.3 m95 -80.51 104.97 11.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.537 HG23 HD11 ' A' ' 66' ' ' ILE . 17.1 tt -105.83 144.4 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.097 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.607 ' O ' HD12 ' A' ' 66' ' ' ILE . 3.9 m-20 -66.54 124.29 22.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.525 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -58.19 -29.29 65.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -93.63 16.73 13.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.2 t -72.53 142.03 83.49 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.647 0.737 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -27.68 26.14 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.644 2.229 . . . . 0.0 112.31 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.488 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 1.8 m-20 -68.75 -33.34 73.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.666 HG23 HD13 ' A' ' 20' ' ' LEU . 77.3 mt -63.56 125.51 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.516 ' HB3' ' CG ' ' A' ' 71' ' ' TRP . 92.2 m-70 -129.0 143.5 49.01 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.554 0.692 . . . . 0.0 110.897 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 152.62 69.15 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.474 HG21 ' HB2' ' A' ' 19' ' ' LYS . 15.2 t -45.03 -28.45 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.02 43.4 1.94 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.584 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 87.1 t90 -95.06 -53.86 3.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.735 0.302 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.4 p -39.41 -38.8 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 74' ' ' LYS . 22.9 t -76.44 -61.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 73' ' ' SER . 26.7 mtpt -38.24 -49.88 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.2 p -87.86 -47.51 8.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.48 34.35 3.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.579 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 6.5 m80 -101.65 150.12 37.03 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.612 0.72 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 134.99 29.43 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.722 HD12 ' O ' ' A' ' 31' ' ' ILE . 22.5 tp -107.82 139.93 41.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -100.36 128.23 30.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 152.59 69.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.26 . . . . 0.0 112.402 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.325 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.519 ' HE2' HD22 ' A' ' 20' ' ' LEU . 10.5 m-85 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.857 0.36 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -136.05 161.98 34.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -83.44 148.69 27.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.8 mttt 64.91 34.38 9.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.425 ' HE2' HG21 ' A' ' 36' ' ' VAL . 10.9 ptt? -117.3 -179.03 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 32.4 mmtm -121.6 140.5 52.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.691 HD11 ' CG2' ' A' ' 22' ' ' VAL . 0.4 OUTLIER -157.25 141.93 16.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.46 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 88.0 mt-10 -81.83 122.2 27.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.691 ' CG2' HD11 ' A' ' 20' ' ' LEU . 44.7 t -114.99 141.88 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.513 HG22 HG12 ' A' ' 31' ' ' ILE . 78.0 t -84.99 116.01 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' ASN . 13.4 t0 -52.75 109.06 0.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 1.4 mmmm -42.08 -58.09 2.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -60.44 -33.73 72.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 24' ' ' ASP . 17.1 m-80 -124.17 92.16 48.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.655 0.741 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.464 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.7 Cg_endo -69.7 -15.34 37.25 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.588 ' HG3' ' CD1' ' A' ' 30' ' ' PHE . 18.5 ptp -95.51 14.15 23.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.588 ' CD1' ' HG3' ' A' ' 29' ' ' MET . 44.0 m-85 -135.03 130.38 35.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.529 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 36.6 mt -127.55 141.2 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 -142.26 164.12 31.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.466 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 91.6 t -67.82 145.54 13.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.409 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -131.31 170.03 15.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.06 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.6 m -138.38 116.27 11.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.425 HG21 ' HE2' ' A' ' 18' ' ' MET . 16.3 t -67.55 103.19 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.08 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.87 -35.4 32.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -150.85 140.45 21.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.569 HG22 HG12 ' A' ' 44' ' ' VAL . 12.3 p -107.34 109.35 21.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.574 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 16.2 t70 -83.13 176.45 9.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.401 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 21.5 m-20 -42.1 -66.24 0.37 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.401 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 3.7 m-70 -123.59 27.95 7.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 40' ' ' ASP . 15.4 mtt85 -146.08 165.55 28.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.569 HG12 HG22 ' A' ' 39' ' ' THR . 27.1 m -146.01 119.05 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.409 ' NZ ' ' CD1' ' A' ' 58' ' ' TRP . 13.2 tttp -64.9 112.18 3.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 46' ' ' VAL . 10.2 m -99.84 114.08 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.131 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -103.9 127.75 51.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -81.77 103.77 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -38.98 124.17 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.93 -49.89 1.75 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 21.1 m95 . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.774 0.321 . . . . 0.0 110.904 -179.886 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 56' ' ' ASP . 11.6 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.876 0.369 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 1.0 OUTLIER -35.38 149.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -156.77 152.65 27.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.574 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 54.8 m95 -79.24 105.13 10.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.976 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.831 HG23 HD11 ' A' ' 66' ' ' ILE . 15.8 tt -108.21 140.2 27.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.162 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.654 ' O ' HD12 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -64.8 121.38 14.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.856 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.513 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -57.12 -18.25 14.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.103 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -95.28 -12.97 25.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.815 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.2 t -48.08 135.78 11.55 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.88 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -11.44 30.86 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.332 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.503 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -81.49 -25.94 35.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.878 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.831 HD11 HG23 ' A' ' 59' ' ' ILE . 86.0 mt -74.65 129.78 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 95.7 m-70 -129.07 141.64 42.45 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.541 0.686 . . . . 0.0 110.896 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 165.05 32.3 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.685 2.257 . . . . 0.0 112.32 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.416 ' O ' HG12 ' A' ' 69' ' ' VAL . 15.9 t -64.91 100.88 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 125.49 14.71 3.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.541 ' CD2' ' O ' ' A' ' 71' ' ' TRP . 0.9 OUTLIER -77.16 -12.03 59.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.752 0.31 . . . . 0.0 110.925 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.1 p -65.68 -29.5 70.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 74' ' ' LYS . 68.5 m -80.41 -51.29 9.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 73' ' ' SER . 41.0 mtpt -34.71 -66.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.8 p -81.78 -45.12 16.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 111.64 34.25 2.1 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.496 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 3.1 m80 -97.57 143.64 26.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.641 0.734 . . . . 0.0 110.811 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 133.25 25.1 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.2 tp -99.46 138.01 37.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -101.72 125.34 37.52 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 149.37 66.62 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.376 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.324 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 p 40.82 42.52 1.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.853 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -122.18 95.01 4.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.73 -142.67 13.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.478 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -157.11 153.82 28.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.364 . . . . 0.0 110.887 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.6 p -158.44 106.41 1.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.82 135.44 12.53 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.517 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.3 m -148.89 169.13 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.939 0.4 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -113.66 143.86 30.29 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.559 0.695 . . . . 0.0 110.909 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 148.32 64.5 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.664 2.242 . . . . 0.0 112.351 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -49.62 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.7 2.266 . . . . 0.0 112.345 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.523 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 1.2 p80 -124.04 -43.68 2.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.83 27.23 0.73 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.537 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.523 ' HB2' ' CE1' ' A' ' 12' ' ' HIS . 13.2 m-85 -125.64 160.68 29.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -129.68 169.3 15.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.6 ' HG3' HG23 ' A' ' 39' ' ' THR . 14.9 mtmt -97.18 157.26 16.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt 64.79 27.41 12.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.464 ' CE ' HG21 ' A' ' 36' ' ' VAL . 12.7 ptt? -116.06 -176.77 3.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.479 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 42.4 mmtm -120.27 152.27 38.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.871 HD11 HG22 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -167.48 143.33 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -82.54 116.12 21.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.871 HG22 HD11 ' A' ' 20' ' ' LEU . 48.1 t -109.33 141.27 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.603 HG22 HG12 ' A' ' 31' ' ' ILE . 79.3 t -86.2 117.94 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 27' ' ' ASN . 10.3 t0 -51.58 110.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 12.1 mmmt -44.45 -58.16 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.42 ' CD ' ' H ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -58.57 -29.23 66.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 24' ' ' ASP . 2.7 m120 -129.66 93.47 34.75 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.63 0.728 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.47 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.6 Cg_endo -69.84 -6.5 18.77 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.316 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 21.9 mmt -103.68 11.56 35.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -132.42 133.95 44.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.603 HG12 HG22 ' A' ' 23' ' ' VAL . 25.6 mt -129.0 143.65 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 45.0 mtt-85 -143.84 167.79 21.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.479 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 74.4 t -68.27 152.14 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -140.49 166.32 25.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.2 m -135.52 113.24 10.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.464 HG21 ' CE ' ' A' ' 18' ' ' MET . 21.5 t -64.69 103.26 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.88 -51.96 8.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -138.96 134.36 33.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.6 HG23 ' HG3' ' A' ' 16' ' ' LYS . 72.8 p -105.98 112.56 25.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.408 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 10.4 t0 -83.28 -178.39 7.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -47.26 -57.1 5.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -130.98 30.56 4.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -147.93 172.58 13.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.523 HG13 ' HB2' ' A' ' 61' ' ' ALA . 35.3 m -155.68 122.4 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -70.03 102.99 2.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.6 m -87.33 116.34 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -104.18 121.07 42.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -79.29 106.83 11.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -39.33 116.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.85 -65.44 0.61 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 53.1 m95 -41.71 125.53 2.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.758 0.314 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 53' ' ' ASN . 11.1 t-20 -38.09 126.72 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 54' ' ' CYS . 8.1 m-20 -36.54 -46.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 53' ' ' ASN . 37.3 t -37.01 -46.47 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.429 ' O ' ' C ' ' A' ' 56' ' ' ASP . 14.4 m-85 -51.55 -45.23 62.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 55' ' ' TYR . 15.5 m-20 -35.72 144.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -151.57 156.39 40.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.408 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 55.5 m95 -81.99 105.17 12.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.816 HG23 HD11 ' A' ' 66' ' ' ILE . 14.7 tt -108.89 143.05 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.548 ' O ' HD12 ' A' ' 66' ' ' ILE . 7.5 m-20 -66.68 123.96 21.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.523 ' HB2' HG13 ' A' ' 44' ' ' VAL . . . -61.85 -17.09 55.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -100.38 6.33 44.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.2 t -66.2 141.9 97.59 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.671 0.748 . . . . 0.0 110.824 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -21.77 32.79 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.15 -34.81 66.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.816 HD11 HG23 ' A' ' 59' ' ' ILE . 29.0 mt -65.73 127.48 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.481 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 97.9 m-70 -128.89 143.23 47.85 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.622 0.725 . . . . 0.0 110.889 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 163.02 39.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.245 . . . . 0.0 112.311 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.3 t -62.89 103.75 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.63 6.98 6.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.451 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.59 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 1.8 t90 -68.07 -12.64 61.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.745 0.307 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.2 p -67.46 -32.25 72.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.7 m -81.85 -50.9 8.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -39.68 -62.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.0 p -80.43 -32.99 37.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.79 31.34 7.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.404 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 6.7 m-70 -100.78 143.3 26.31 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.577 0.703 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 139.77 40.98 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.644 2.229 . . . . 0.0 112.346 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.7 tp -104.61 144.67 31.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -105.14 134.78 19.48 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.575 0.702 . . . . 0.0 110.943 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 151.08 68.88 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.64 2.227 . . . . 0.0 112.346 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -169.99 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.676 2.251 . . . . 0.0 112.384 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.438 ' HA ' HD23 ' A' ' 83' ' ' LEU . 11.0 mt -62.1 163.93 7.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.9 m -68.7 158.78 84.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.638 0.732 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 2.96 3.09 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.627 2.218 . . . . 0.0 112.358 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -120.03 -14.44 8.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -79.69 -14.55 58.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.408 HD23 ' H ' ' A' ' 88' ' ' LEU . 1.0 OUTLIER -96.66 -5.0 39.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 64.2 ttp -78.26 92.37 4.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -102.05 166.23 10.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 56.85 42.93 25.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.7 t -111.27 94.29 4.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -100.81 118.43 36.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -106.88 104.09 13.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.47 84.52 0.62 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -169.22 152.57 20.24 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.472 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 30.3 p -66.92 159.91 27.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 110.907 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.5 m -135.02 162.6 32.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.8 t -103.91 141.35 22.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.574 0.702 . . . . 0.0 111.12 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 134.82 28.89 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.71 2.273 . . . . 0.0 112.344 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -107.01 61.56 0.32 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.522 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.9 m -157.9 148.76 20.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 110.901 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 152.99 83.81 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.445 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 174.5 9.42 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 86.1 p -134.86 136.98 42.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.815 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.8 t -161.37 155.21 22.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.9 p -164.05 137.94 5.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.888 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 m -105.28 174.62 5.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.4 -57.36 3.39 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.4 p -88.78 152.95 21.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.37 . . . . 0.0 110.855 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 t -119.04 129.25 55.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.42 97.87 0.17 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.2 p -169.55 139.99 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.36 . . . . 0.0 111.149 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -99.65 143.94 27.39 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.605 0.717 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 162.97 40.02 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.688 2.259 . . . . 0.0 112.307 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -47.59 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.682 2.255 . . . . 0.0 112.332 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.512 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 0.9 OUTLIER -125.0 -39.81 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 122.5 31.07 1.09 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.512 ' HB2' ' CE1' ' A' ' 12' ' ' HIS . 4.1 m-85 -120.54 177.82 4.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -149.18 162.76 39.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -90.49 147.42 23.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt 70.12 25.22 4.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.478 ' CE ' HG21 ' A' ' 36' ' ' VAL . 11.0 ptt? -110.27 177.07 4.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.408 ' O ' HG23 ' A' ' 69' ' ' VAL . 30.6 mmtm -117.18 153.41 32.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.76 HD13 HG23 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -167.64 140.76 3.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.983 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 67' ' ' HIS . 95.1 mt-10 -81.44 117.56 21.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.714 HG22 HD11 ' A' ' 20' ' ' LEU . 93.7 t -110.55 142.12 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.659 HG22 HG12 ' A' ' 31' ' ' ILE . 93.4 t -86.51 118.64 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.175 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' ASN . 8.8 t0 -51.38 108.45 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 2.1 mmmm -42.1 -57.23 2.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -61.93 -33.89 75.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' ASP . 22.2 m-20 -121.85 91.59 48.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.588 0.709 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.417 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.7 Cg_endo -69.75 -7.98 22.43 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.646 2.231 . . . . 0.0 112.39 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.5 ptp -101.9 11.51 38.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -135.78 133.15 37.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.659 HG12 HG22 ' A' ' 23' ' ' VAL . 27.4 mt -127.26 144.25 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.4 mtt85 -141.65 162.16 36.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.84 146.56 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.409 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -132.68 164.1 27.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.4 m -130.76 114.62 15.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.478 HG21 ' CE ' ' A' ' 18' ' ' MET . 17.7 t -65.66 104.59 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.4 -39.3 17.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -147.88 137.5 22.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.0 p -111.58 111.49 22.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.535 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 6.5 t0 -81.9 -178.66 7.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.437 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 20.3 m-20 -46.47 -56.11 6.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.437 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 2.2 m-70 -131.94 28.87 4.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 40' ' ' ASP . 18.1 mtm180 -145.5 170.36 16.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 44' ' ' VAL . 34.0 m -154.05 122.9 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -70.66 107.19 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.475 HG12 HD21 ' A' ' 20' ' ' LEU . 10.7 m -93.23 113.03 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.16 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.455 ' CD2' ' C ' ' A' ' 47' ' ' HIS . 2.7 t60 -99.97 126.69 46.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.532 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 3.1 m-85 -82.23 102.49 11.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -37.83 130.99 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.27 -45.79 3.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.455 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.573 ' CG ' HD12 ' A' ' 83' ' ' LEU . 75.6 m95 -63.62 132.56 51.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.799 0.333 . . . . 0.0 110.921 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -42.88 127.33 4.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.436 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 4.2 t-20 -39.41 -36.27 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 19.9 m -51.64 -46.32 63.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -49.85 -36.53 27.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 3.7 m-20 -44.27 161.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -163.94 149.27 10.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.535 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 44.3 m95 -76.84 106.54 8.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.649 HG23 HD11 ' A' ' 66' ' ' ILE . 16.8 tt -109.11 144.5 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.639 ' O ' HD12 ' A' ' 66' ' ' ILE . 6.2 m-20 -68.71 127.36 32.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.433 ' HB1' ' CE1' ' A' ' 14' ' ' PHE . . . -62.1 -20.8 64.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -93.83 -5.5 47.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.9 t -56.65 138.8 76.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.664 0.745 . . . . 0.0 110.868 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -24.31 29.83 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.657 2.238 . . . . 0.0 112.317 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.43 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -68.03 -31.23 70.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.76 HG23 HD13 ' A' ' 20' ' ' LEU . 62.3 mt -66.55 127.56 28.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.474 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 89.0 m-70 -129.04 140.2 37.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.54 0.686 . . . . 0.0 110.883 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 157.37 60.58 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.325 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 19' ' ' LYS . 95.5 t -58.34 102.85 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 122.83 12.72 4.83 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.597 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 0.6 OUTLIER -75.17 -22.83 57.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.749 0.309 . . . . 0.0 110.967 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.441 ' HA ' ' CE3' ' A' ' 71' ' ' TRP . 30.5 p -60.85 -31.65 71.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 75' ' ' THR . 74.9 m -83.55 -66.22 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.462 ' CD ' ' HA ' ' A' ' 71' ' ' TRP . 3.4 ptmm? -33.72 -34.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 73' ' ' SER . 44.6 p -99.87 -46.88 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 109.73 18.06 9.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.533 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 2.2 m80 -89.81 145.42 33.32 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.599 0.714 . . . . 0.0 110.844 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 136.78 33.83 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.7 tp -109.22 137.25 47.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -100.61 135.36 20.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.589 0.709 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 154.72 67.26 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.272 . . . . 0.0 112.337 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -170.13 0.37 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.68 2.253 . . . . 0.0 112.363 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.871 HD22 ' HG3' ' A' ' 87' ' ' GLU . 2.0 mt -85.65 -178.15 6.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 m -88.54 160.98 43.65 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.647 0.737 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -5.18 15.59 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.692 2.261 . . . . 0.0 112.354 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 pp -84.06 -37.17 22.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.871 ' HG3' HD22 ' A' ' 83' ' ' LEU . 33.6 mm-40 -55.36 -36.87 66.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 89' ' ' MET . 11.8 mt -51.39 -38.59 54.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' LEU . 36.7 ttm -37.72 153.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -95.01 161.48 14.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.67 174.46 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.6 m -152.48 156.31 39.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.2 134.71 35.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -161.47 135.15 6.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.72 137.85 6.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.478 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 126.7 -66.27 0.56 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.491 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 50.3 m -76.77 88.8 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.7 m -148.54 125.58 11.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 38.0 p -77.89 141.65 63.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.588 0.709 . . . . 0.0 111.172 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 122.83 9.52 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -129.97 -78.56 0.2 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -98.76 125.59 44.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.406 ' HA3' ' HD2' ' A' ' 104' ' ' PRO . . . 129.04 -149.91 18.66 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.507 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.406 ' HD2' ' HA3' ' A' ' 103' ' ' GLY . 54.2 Cg_endo -69.72 -174.65 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.715 2.276 . . . . 0.0 112.35 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.4 t -142.61 156.88 45.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.7 t -87.79 148.27 24.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.6 m -116.45 95.95 5.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.36 . . . . 0.0 110.845 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -63.15 -51.01 68.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.28 159.49 8.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 m -121.46 102.41 8.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.875 0.369 . . . . 0.0 110.834 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 m -157.97 123.76 4.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.06 -64.92 0.52 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.51 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.5 m -71.52 173.68 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 111.161 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -146.93 145.21 21.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.579 0.704 . . . . 0.0 110.928 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.405 ' HA ' ' HD2' ' A' ' 11' ' ' PRO . 53.6 Cg_endo -69.77 110.56 2.58 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 10' ' ' PRO . 53.7 Cg_endo -69.8 -43.6 2.54 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.329 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.456 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 1.3 p80 -127.06 -42.37 1.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.51 29.54 0.64 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.529 ' CE2' HG21 ' A' ' 66' ' ' ILE . 9.4 m-85 -133.0 158.13 43.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 110.881 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -128.22 172.18 11.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.492 ' HG3' HG23 ' A' ' 39' ' ' THR . 5.8 mtpm? -98.92 150.64 21.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt 69.84 26.57 4.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.5 ptt? -113.15 -177.0 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.46 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 33.0 mmtm -121.43 151.57 40.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.882 HD11 HG22 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -166.68 141.61 4.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 67' ' ' HIS . 65.1 mt-10 -81.53 112.55 18.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.882 HG22 HD11 ' A' ' 20' ' ' LEU . 61.2 t -105.33 152.79 7.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.594 HG22 HG12 ' A' ' 31' ' ' ILE . 93.5 t -98.69 117.76 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 27' ' ' ASN . 22.3 t0 -54.88 108.04 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 5.6 mmmt -41.99 -54.52 3.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -63.85 -29.06 70.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' ASP . 16.3 m-80 -129.64 92.04 38.9 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.645 0.736 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.497 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 54.3 Cg_endo -69.77 -18.72 36.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.578 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 11.5 ptp -92.74 15.42 14.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.578 ' CE1' ' HG3' ' A' ' 29' ' ' MET . 72.8 m-85 -136.04 124.52 23.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.723 ' O ' HD12 ' A' ' 79' ' ' LEU . 56.6 mt -125.41 133.22 69.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -132.23 174.21 10.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.46 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 85.4 t -75.41 142.49 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -127.21 166.02 18.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.1 m -137.15 108.92 7.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.125 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 t -62.98 102.58 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.0 -48.68 13.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -139.25 142.89 37.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.63 HG22 HG12 ' A' ' 44' ' ' VAL . 44.0 p -114.15 119.96 38.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.429 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 3.0 t70 -93.1 -176.77 4.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.536 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 7.4 m-20 -47.62 -57.44 5.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.536 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 1.8 m-70 -131.59 32.62 4.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.478 ' O ' HG13 ' A' ' 44' ' ' VAL . 26.7 mtm180 -147.75 173.2 13.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.63 HG12 HG22 ' A' ' 39' ' ' THR . 29.2 m -158.94 117.49 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -66.78 106.79 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.1 m -93.4 119.63 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.407 ' CD2' ' C ' ' A' ' 47' ' ' HIS . 4.8 t60 -106.08 117.9 35.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -76.09 107.17 8.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -44.01 128.79 5.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.66 -43.32 2.88 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -61.8 148.84 41.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.737 0.303 . . . . 0.0 110.958 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -60.24 132.66 54.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -42.03 -38.39 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 49.5 t -48.28 -44.37 33.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.415 ' O ' ' C ' ' A' ' 56' ' ' ASP . 57.6 m-85 -52.63 -44.13 65.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 55' ' ' TYR . 4.6 m-20 -37.12 139.82 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -152.2 152.49 32.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.429 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 46.4 m95 -77.07 106.48 8.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.772 HG23 HD11 ' A' ' 66' ' ' ILE . 17.2 tt -109.46 141.28 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.705 ' O ' HD12 ' A' ' 66' ' ' ILE . 62.0 m-20 -61.72 129.0 38.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.517 ' O ' ' CE1' ' A' ' 14' ' ' PHE . . . -63.77 -23.01 67.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.081 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -100.95 18.36 19.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 t -74.18 141.97 78.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.672 0.749 . . . . 0.0 110.859 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 -21.32 34.16 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.391 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.03 -34.49 64.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.864 HG23 HD13 ' A' ' 20' ' ' LEU . 81.5 mt -66.91 126.72 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 21' ' ' GLU . 95.5 m-70 -129.03 143.23 47.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.552 0.691 . . . . 0.0 110.882 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 161.9 44.14 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.716 2.278 . . . . 0.0 112.361 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.0 t -61.97 102.72 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.32 11.29 4.71 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.578 ' CZ3' ' HB2' ' A' ' 77' ' ' HIS . 1.6 t90 -71.5 -14.29 62.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.713 0.292 . . . . 0.0 110.875 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 31.6 p -67.22 -34.25 77.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.7 t -77.03 -47.8 19.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -43.56 -68.62 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.9 p -74.12 -50.97 17.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.28 35.12 1.51 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 4.5 m80 -101.47 143.63 26.97 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.585 0.707 . . . . 0.0 110.825 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 136.52 33.25 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.723 HD12 ' O ' ' A' ' 31' ' ' ILE . 18.6 tp -104.89 144.67 31.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -107.48 130.8 22.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.64 0.733 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 153.5 69.18 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.688 2.259 . . . . 0.0 112.418 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -175.24 1.09 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.61 161.64 9.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.7 m -62.39 153.82 74.62 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.616 0.722 . . . . 0.0 110.851 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.518 ' HA ' ' CD1' ' A' ' 88' ' ' LEU . 54.1 Cg_endo -69.79 -1.86 9.21 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.701 2.268 . . . . 0.0 112.336 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.429 ' C ' HD12 ' A' ' 86' ' ' LEU . 3.6 pp -90.21 -30.6 17.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 88' ' ' LEU . 4.9 mm-40 -59.11 -60.57 3.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.671 ' H ' HD12 ' A' ' 88' ' ' LEU . 3.2 mp -34.59 -48.36 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 88' ' ' LEU . 10.6 tpp -35.24 -50.93 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.93 99.16 6.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -125.55 171.96 10.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.08 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.7 t -91.57 53.19 2.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -79.02 153.29 30.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -107.49 161.6 14.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 99.45 -141.46 15.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 171.09 123.34 0.69 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 45.0 t -52.04 147.57 7.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.848 0.356 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.7 m -91.67 144.97 24.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 33.9 p -110.92 81.24 2.53 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.59 0.71 . . . . 0.0 111.148 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -43.39 2.68 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.308 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.72 -176.75 33.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.5 t -91.82 155.0 18.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.88 0.371 . . . . 0.0 110.876 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -98.05 144.53 17.32 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.487 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 177.89 5.1 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 35.6 m -126.94 110.6 13.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.7 m -38.43 -61.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.827 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.487 -179.95 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t -124.1 146.23 48.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.855 0.36 . . . . 0.0 110.901 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -67.78 -49.73 60.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.69 117.79 4.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.516 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 m -111.51 127.84 55.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.905 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.9 t -166.88 140.45 3.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.9 111.34 3.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.466 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.509 HG22 ' N ' ' A' ' 9' ' ' LYS . 7.4 p -138.2 158.4 32.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.889 0.376 . . . . 0.0 111.141 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.509 ' N ' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -141.04 154.49 68.26 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.561 0.696 . . . . 0.0 110.91 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.453 ' C ' ' HD2' ' A' ' 9' ' ' LYS . 53.0 Cg_endo -69.82 110.23 2.52 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.309 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.445 ' HD2' ' HA ' ' A' ' 10' ' ' PRO . 53.5 Cg_endo -69.78 -39.99 5.82 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.649 2.233 . . . . 0.0 112.346 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.47 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 1.3 p80 -128.91 -43.12 1.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.32 36.34 0.38 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.505 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.725 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 26.3 m-85 -134.41 147.98 50.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.322 . . . . 0.0 110.905 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -117.14 167.85 10.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.64 ' HG3' HG23 ' A' ' 39' ' ' THR . 5.7 mtpm? -97.46 152.72 18.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt 69.55 25.51 5.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.412 ' CE ' HG21 ' A' ' 36' ' ' VAL . 19.1 ptt? -111.75 -179.83 3.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.592 ' O ' HG23 ' A' ' 69' ' ' VAL . 44.2 mmtt -118.75 142.08 48.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.858 HD11 HG22 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -158.21 140.93 14.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 67' ' ' HIS . 91.1 mt-10 -81.33 115.27 20.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.858 HG22 HD11 ' A' ' 20' ' ' LEU . 58.1 t -108.23 140.23 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.475 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 85.6 t -82.0 117.59 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -53.34 118.04 3.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 13.9 mmmt -53.71 -51.98 61.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.474 ' HD2' ' N ' ' A' ' 26' ' ' ARG . 8.7 mmm-85 -60.09 -36.27 77.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -132.04 94.44 24.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.621 0.724 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.475 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 54.1 Cg_endo -69.72 -5.14 15.46 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.727 2.285 . . . . 0.0 112.354 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -96.72 9.12 42.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -133.18 135.94 45.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.693 HD13 ' CZ3' ' A' ' 71' ' ' TRP . 23.8 mt -129.2 135.43 61.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.097 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -133.14 -179.93 5.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.8 t -84.24 142.27 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 20' ' ' LEU . . . -125.46 174.05 8.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.9 m -145.79 109.54 4.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.412 HG21 ' CE ' ' A' ' 18' ' ' MET . 33.0 t -59.75 108.91 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.02 -42.7 12.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -147.59 131.11 16.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.64 HG23 ' HG3' ' A' ' 16' ' ' LYS . 69.9 p -104.47 114.44 28.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.483 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 6.3 t70 -87.94 -175.85 5.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.477 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 3.9 m-20 -45.99 -64.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.477 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 1.1 m-70 -125.75 33.63 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -150.14 169.1 22.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 44' ' ' VAL . 34.3 m -155.57 124.19 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 tttt -69.65 109.86 4.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.451 HG12 HD21 ' A' ' 20' ' ' LEU . 15.1 m -98.1 113.33 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.087 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -99.9 133.83 43.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.427 ' CZ ' ' HB ' ' A' ' 22' ' ' VAL . 4.7 m-85 -91.38 101.01 13.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -41.02 124.58 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.31 -59.14 0.57 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.511 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.513 ' CD1' HD23 ' A' ' 83' ' ' LEU . 62.4 m95 -53.19 167.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.758 0.313 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -74.99 131.99 41.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.922 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 2.7 p30 -47.24 -31.21 3.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.5 m -53.13 -38.48 62.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.448 ' O ' ' C ' ' A' ' 56' ' ' ASP . 12.3 m-85 -60.49 -37.84 82.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 55' ' ' TYR . 13.5 m-20 -34.3 147.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -156.87 145.17 19.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.483 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 60.1 m95 -75.56 104.99 6.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.811 HG23 HD11 ' A' ' 66' ' ' ILE . 16.1 tt -105.26 147.38 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.732 ' O ' HD12 ' A' ' 66' ' ' ILE . 55.5 m-20 -70.31 122.04 18.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.838 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.725 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -57.34 -23.57 49.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -96.27 12.04 32.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.3 t -71.47 142.39 86.5 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.68 0.752 . . . . 0.0 110.832 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -22.39 32.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.479 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 1.0 OUTLIER -74.37 -35.02 63.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.89 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.811 HD11 HG23 ' A' ' 59' ' ' ILE . 53.1 mt -62.23 119.85 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 21' ' ' GLU . 83.8 m-70 -124.03 143.64 42.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.554 0.692 . . . . 0.0 110.871 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 164.38 34.81 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.331 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 19' ' ' LYS . 18.5 t -55.72 -23.38 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -101.49 42.05 2.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.706 ' NE1' HG21 ' A' ' 75' ' ' THR . 84.1 t90 -94.1 -43.4 8.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.338 . . . . 0.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.6 p -53.06 -37.52 61.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.3 m -78.5 -52.29 8.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -49.97 -59.72 3.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.706 HG21 ' NE1' ' A' ' 71' ' ' TRP . 1.5 p -78.59 -23.06 46.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.35 30.75 48.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.475 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.587 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 4.7 m80 -96.94 149.96 36.31 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.601 0.715 . . . . 0.0 110.837 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 143.99 52.74 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 31' ' ' ILE . 24.3 tp -115.7 151.76 34.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -115.17 134.32 22.56 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.596 0.712 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 150.54 68.17 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.342 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 176.52 6.65 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.691 2.261 . . . . 0.0 112.329 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.513 HD23 ' CD1' ' A' ' 51' ' ' TRP . 2.5 mm? -50.5 164.04 0.15 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -76.45 156.92 83.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.659 0.743 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 0.09 6.17 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.716 2.278 . . . . 0.0 112.296 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.423 ' C ' HD12 ' A' ' 86' ' ' LEU . 3.4 pp -94.95 -30.84 13.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.5 ' HG3' HD12 ' A' ' 83' ' ' LEU . 18.6 mm-40 -60.0 -50.0 75.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.752 ' H ' HD12 ' A' ' 88' ' ' LEU . 2.4 mp -59.85 -59.45 5.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.5 ppp? -60.87 165.26 4.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.5 pm0 -95.33 152.31 18.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -123.62 170.38 10.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.0 t 39.6 40.22 0.6 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -109.7 117.02 32.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -63.26 130.06 42.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 163.27 69.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.424 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -92.93 133.41 11.7 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.508 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 45.5 t -72.54 141.7 48.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.7 p -110.79 134.11 52.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 31.5 p -107.4 145.12 30.58 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.572 0.701 . . . . 0.0 111.141 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -177.14 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.267 . . . . 0.0 112.349 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -132.85 -153.44 7.23 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.6 p -118.36 159.62 23.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.909 0.385 . . . . 0.0 110.837 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -96.23 -158.45 31.89 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.464 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -179.17 2.73 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.731 2.287 . . . . 0.0 112.277 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.2 t -113.41 -63.03 1.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.9 t -136.47 162.88 31.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.829 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.476 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 54.98 42.15 31.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -54.36 144.49 20.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.7 -105.86 1.98 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.453 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -123.09 91.64 3.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.366 . . . . 0.0 110.835 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.6 t -110.64 105.22 14.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.0 -50.23 3.88 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.8 p -73.56 139.61 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.363 . . . . 0.0 111.139 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -117.93 151.46 48.89 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.594 0.711 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 149.08 66.6 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.742 2.294 . . . . 0.0 112.324 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -41.54 4.15 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -121.29 -22.22 6.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.14 -51.78 0.77 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.492 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.834 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 54.2 m-85 -44.25 147.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 110.855 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -116.51 171.62 7.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.572 ' HG3' HG23 ' A' ' 39' ' ' THR . 6.6 mtpm? -100.47 162.36 12.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.2 mtpt 60.6 25.92 15.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 18.3 ptt? -114.26 -175.86 2.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.415 ' C ' HG23 ' A' ' 69' ' ' VAL . 32.2 mmtm -119.65 148.26 43.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.681 HD11 ' CG2' ' A' ' 22' ' ' VAL . 0.4 OUTLIER -163.42 145.48 9.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 67' ' ' HIS . 68.0 mt-10 -85.61 119.39 25.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.681 ' CG2' HD11 ' A' ' 20' ' ' LEU . 70.7 t -113.74 137.06 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.0 t -80.31 122.2 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' ASN . 17.2 t0 -64.79 116.46 6.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 4.5 mmmt -48.05 -58.92 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.425 ' HG3' ' ND2' ' A' ' 27' ' ' ASN . 3.8 ptp180 -57.95 -32.91 68.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.425 ' ND2' ' HG3' ' A' ' 26' ' ' ARG . 66.0 m-80 -129.53 91.29 41.46 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.629 0.728 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 27' ' ' ASN . 53.7 Cg_endo -69.71 -21.08 34.22 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.9 mtt -88.76 14.17 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -134.14 125.59 28.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.509 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 46.3 mt -123.57 136.01 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -133.2 -179.65 5.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.2 t -84.92 145.43 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.122 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.463 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -130.73 159.38 37.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.0 m -126.73 108.55 11.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.7 t -59.45 105.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.85 -47.75 12.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -142.24 136.14 29.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.572 HG23 ' HG3' ' A' ' 16' ' ' LYS . 58.7 p -107.57 110.83 22.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.416 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 11.6 t0 -81.41 -175.51 5.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.48 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 5.8 m-20 -50.24 -57.11 8.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.48 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 2.1 m-70 -130.52 28.16 4.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.8 mtm-85 -145.32 168.9 19.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 44' ' ' VAL . 35.2 m -153.05 121.45 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -69.05 108.71 3.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.48 HG12 HD21 ' A' ' 20' ' ' LEU . 16.2 m -95.82 115.51 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.136 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.452 ' CD2' ' C ' ' A' ' 47' ' ' HIS . 3.0 t60 -103.0 132.26 49.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -87.18 103.12 15.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -44.74 106.87 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.42 -45.02 1.31 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.439 ' CD1' HD23 ' A' ' 83' ' ' LEU . 10.9 m0 -70.86 138.12 49.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.766 0.317 . . . . 0.0 110.943 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 53' ' ' ASN . 2.4 t30 -47.76 138.65 8.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.858 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 52' ' ' ASN . 39.2 m-20 -37.28 -54.0 1.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.855 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 53' ' ' ASN . 76.8 m -35.94 -58.35 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' A' ' 54' ' ' CYS . 26.4 m-85 -36.59 -49.04 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 0.7 OUTLIER -43.06 157.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -159.9 159.69 32.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.416 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 44.4 m95 -83.37 105.82 14.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.735 HG23 HD11 ' A' ' 66' ' ' ILE . 15.8 tt -109.17 142.38 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.607 ' O ' HD12 ' A' ' 66' ' ' ILE . 7.6 m-20 -69.04 125.44 26.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.834 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -57.82 -27.6 63.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.062 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -88.61 1.9 54.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.8 t -61.71 141.0 95.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.699 0.762 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -26.93 26.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.706 2.271 . . . . 0.0 112.311 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.77 -30.0 67.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.836 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.735 HD11 HG23 ' A' ' 59' ' ' ILE . 27.5 mt -65.67 122.93 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 21' ' ' GLU . 71.7 m-70 -128.95 143.82 50.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.581 0.705 . . . . 0.0 110.843 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 158.91 55.3 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.701 2.267 . . . . 0.0 112.322 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.415 HG23 ' C ' ' A' ' 19' ' ' LYS . 15.5 t -51.34 -22.5 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -102.73 42.93 1.78 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.498 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.526 ' CZ3' ' HB2' ' A' ' 77' ' ' HIS . 88.3 t90 -93.81 -50.51 5.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.32 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.1 p -41.35 -36.85 0.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 74' ' ' LYS . 4.9 p -74.92 -62.85 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 73' ' ' SER . 5.9 mtpm? -34.72 -62.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.7 p -75.99 -47.73 23.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.19 29.44 4.27 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.526 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 3.8 m80 -97.82 146.39 31.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.596 0.712 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 135.63 31.01 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.718 2.278 . . . . 0.0 112.349 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.468 HD12 ' O ' ' A' ' 31' ' ' ILE . 32.9 tp -100.14 144.53 29.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -106.32 126.88 29.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.555 0.693 . . . . 0.0 110.949 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 149.29 66.88 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -179.56 3.0 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.309 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.439 HD23 ' CD1' ' A' ' 51' ' ' TRP . 4.3 mm? -58.48 163.92 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.5 m -57.88 159.8 9.57 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -4.84 14.81 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.719 2.279 . . . . 0.0 112.35 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.473 ' C ' HD12 ' A' ' 86' ' ' LEU . 3.5 pp -84.76 -21.95 29.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -81.22 -62.18 1.73 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.49 HD12 ' N ' ' A' ' 89' ' ' MET . 4.1 pp -53.39 -38.25 63.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.49 ' N ' HD12 ' A' ' 88' ' ' LEU . 36.7 ttp -69.09 -47.07 66.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -77.22 86.88 3.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 92' ' ' SER . . . -174.58 135.5 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 91' ' ' ALA . 23.5 t -35.39 140.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -122.15 135.38 54.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.416 ' CG ' ' N ' ' A' ' 95' ' ' GLY . 50.2 t-80 -66.25 168.86 7.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.416 ' N ' ' CG ' ' A' ' 94' ' ' HIS . . . 174.01 137.2 2.38 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.477 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -154.69 -173.18 23.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 29.9 p -67.54 135.58 53.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 73.9 m -115.37 166.03 12.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.826 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 41.7 p -117.88 139.22 26.2 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.581 0.705 . . . . 0.0 111.13 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 163.24 39.02 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.662 2.241 . . . . 0.0 112.344 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -72.58 -149.29 0.97 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 63.8 p -152.89 161.87 42.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.902 0.382 . . . . 0.0 110.845 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.32 84.0 0.29 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -43.54 2.59 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.305 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 106' ' ' SER . 14.8 p 39.38 54.62 2.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 105' ' ' SER . 57.0 p 35.43 42.41 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 m -86.29 163.88 17.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.367 . . . . 0.0 110.865 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -104.37 162.91 12.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.61 129.79 1.18 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 t -87.6 117.83 26.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 t -124.07 149.03 46.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.823 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.74 104.17 3.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.5 p -158.55 151.04 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.377 . . . . 0.0 111.106 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -115.14 150.04 43.65 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.506 0.67 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.405 ' HA ' ' HD2' ' A' ' 11' ' ' PRO . 53.8 Cg_endo -69.79 117.87 5.34 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.33 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 10' ' ' PRO . 53.7 Cg_endo -69.7 -41.03 4.71 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.362 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.458 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 1.3 p80 -127.14 -38.58 1.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.2 36.96 0.52 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.515 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.458 ' HB2' ' CE1' ' A' ' 12' ' ' HIS . 8.8 m-85 -135.38 173.71 11.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.429 ' HG3' ' C ' ' A' ' 14' ' ' PHE . 61.5 mt-30 -148.3 162.5 39.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -89.95 152.91 20.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.0 mttt 66.79 25.16 9.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.9 ptt? -113.01 172.28 7.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -111.08 153.66 25.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.797 HD11 HG22 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -170.41 142.03 2.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.955 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.454 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 78.3 mt-10 -81.22 117.17 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.797 HG22 HD11 ' A' ' 20' ' ' LEU . 85.8 t -111.63 135.09 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.17 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.55 HG22 HG12 ' A' ' 31' ' ' ILE . 92.1 t -78.78 122.8 34.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 27' ' ' ASN . 5.8 t70 -57.43 109.25 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 1.6 mmmm -42.15 -57.78 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -62.37 -29.59 70.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' ASP . 28.4 m-20 -126.3 92.48 45.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.622 0.725 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.417 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 54.5 Cg_endo -69.66 -18.02 37.69 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.728 2.285 . . . . 0.0 112.405 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 55.8 mtm -94.19 14.98 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -135.47 132.77 37.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.55 HG12 HG22 ' A' ' 23' ' ' VAL . 47.0 mt -128.39 141.67 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -142.71 161.63 37.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.5 t -66.09 147.95 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.406 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -133.31 163.38 29.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.1 m -130.86 106.4 8.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.5 t -60.15 103.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.113 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.21 -53.53 6.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -134.88 130.31 35.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.483 HG22 HG12 ' A' ' 44' ' ' VAL . 14.7 p -100.68 113.72 26.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.548 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 12.9 t0 -76.57 -174.82 3.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.0 -37.36 75.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.464 ' H ' ' CD2' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -132.78 10.48 4.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.2 mtt85 -143.92 179.33 7.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.483 HG12 HG22 ' A' ' 39' ' ' THR . 31.0 m -156.95 120.61 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.4 tttm -66.1 120.14 12.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.2 m -103.79 116.24 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -107.87 115.01 29.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.419 ' O ' ' C ' ' A' ' 49' ' ' ASP . 3.9 m-85 -73.49 105.06 4.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 48' ' ' PHE . 26.1 t0 -35.51 122.56 0.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 51' ' ' TRP . . . 93.24 -62.9 2.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.544 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.482 ' N ' HD13 ' A' ' 83' ' ' LEU . 33.9 m95 -36.76 149.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.754 0.311 . . . . 0.0 110.936 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.413 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . 29.3 m-20 -59.87 134.94 57.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -46.08 -37.49 6.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.8 t -51.41 -44.44 62.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.423 ' O ' ' C ' ' A' ' 56' ' ' ASP . 50.7 m-85 -51.84 -43.56 63.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 55' ' ' TYR . 2.7 m-20 -36.77 147.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -156.67 148.63 22.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.548 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 55.7 m95 -77.46 105.25 8.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.622 HG23 HD11 ' A' ' 66' ' ' ILE . 16.0 tt -106.62 141.41 21.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.607 ' O ' HD12 ' A' ' 66' ' ' ILE . 30.7 m-20 -62.49 131.48 49.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.445 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -65.51 -23.78 66.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -100.69 23.53 10.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.5 t -80.1 141.33 54.15 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.666 0.746 . . . . 0.0 110.84 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -22.06 32.53 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 0.0 112.384 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.529 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.6 m-20 -73.3 -32.78 64.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.656 HG23 HD13 ' A' ' 20' ' ' LEU . 72.2 mt -66.35 128.16 28.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -128.73 143.62 49.22 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.592 0.711 . . . . 0.0 110.848 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 162.12 43.3 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.704 2.27 . . . . 0.0 112.366 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.565 ' O ' HG12 ' A' ' 69' ' ' VAL . 19.8 t -64.75 91.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 132.2 23.9 0.81 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.588 ' CZ3' ' HB2' ' A' ' 77' ' ' HIS . 1.2 t90 -84.4 -10.4 57.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.754 0.312 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.3 p -77.67 -24.49 49.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 74' ' ' LYS . 5.6 t -86.68 -56.68 3.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.547 ' HD3' ' CD1' ' A' ' 71' ' ' TRP . 16.2 ptmt -34.22 -37.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.457 HG22 ' CG ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -113.34 -44.36 3.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 109.6 37.01 1.97 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.588 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 8.4 m80 -91.6 153.26 43.99 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.606 0.717 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 149.2 66.61 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.382 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 31' ' ' ILE . 15.8 tp -133.47 136.29 45.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -104.06 128.05 27.98 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.559 0.695 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 155.52 65.71 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.372 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -177.8 2.05 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.713 2.275 . . . . 0.0 112.285 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.549 HD23 ' HG3' ' A' ' 87' ' ' GLU . 7.7 mp -62.9 163.51 9.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.951 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 m -65.45 158.06 75.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.682 0.753 . . . . 0.0 110.845 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 2.22 3.75 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.622 2.215 . . . . 0.0 112.358 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.8 pp -86.51 -29.38 22.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.549 ' HG3' HD23 ' A' ' 83' ' ' LEU . 5.3 mm-40 -70.19 -41.49 73.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.727 ' H ' HD12 ' A' ' 88' ' ' LEU . 2.2 mp -76.99 -57.01 4.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 11.6 mmt 38.11 42.37 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -67.07 -46.27 74.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -42.52 154.86 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.7 p -106.51 172.71 6.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 71.49 42.11 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -47.39 -59.84 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -39.02 150.68 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.459 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 157.98 -89.38 0.11 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.512 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 6.1 t -92.04 89.41 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.7 m -49.85 136.25 18.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.0 p -134.1 139.34 32.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.619 0.723 . . . . 0.0 111.129 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 107.79 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.54 -171.9 34.22 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.4 p -163.8 176.21 9.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.861 0.362 . . . . 0.0 110.895 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -55.26 144.37 32.79 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 176.14 7.16 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.662 2.241 . . . . 0.0 112.384 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 68.5 m -82.36 170.28 15.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.878 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 96.6 p -68.11 155.78 38.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m -52.85 139.96 25.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.845 0.355 . . . . 0.0 110.892 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.9 p -120.23 128.22 53.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.809 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.25 -142.29 4.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -43.97 101.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.902 0.382 . . . . 0.0 110.847 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -144.71 121.98 11.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.813 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.42 -45.58 5.41 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.463 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.1 p -38.26 143.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.9 0.381 . . . . 0.0 111.116 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -109.7 148.83 38.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.603 0.716 . . . . 0.0 110.845 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 161.46 45.83 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.657 2.238 . . . . 0.0 112.345 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -39.86 5.89 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.635 2.223 . . . . 0.0 112.335 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.508 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 1.1 p80 -121.9 -36.38 3.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.54 34.12 0.72 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.602 ' CE1' ' HB1' ' A' ' 61' ' ' ALA . 7.1 m-85 -127.89 147.15 50.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.865 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -118.65 157.67 26.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -85.44 148.38 26.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt 69.84 26.61 4.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.463 ' HE2' HG21 ' A' ' 36' ' ' VAL . 12.3 ptt? -109.95 174.72 5.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.463 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 18.0 mmtp -114.77 148.83 37.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.861 HD11 HG22 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -163.5 141.99 7.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.415 ' OE2' HD13 ' A' ' 79' ' ' LEU . 82.5 mt-10 -81.38 114.53 20.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.861 HG22 HD11 ' A' ' 20' ' ' LEU . 59.3 t -108.43 140.46 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.51 HG22 HG12 ' A' ' 31' ' ' ILE . 86.9 t -85.81 115.12 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 27' ' ' ASN . 13.0 t0 -52.81 109.14 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.481 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 1.4 mmmm -42.12 -58.77 2.0 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -60.54 -32.05 71.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 24' ' ' ASP . 3.1 m-20 -126.11 91.36 48.18 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.593 0.711 . . . . 0.0 110.838 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.487 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 54.0 Cg_endo -69.77 -18.7 36.79 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.713 2.275 . . . . 0.0 112.342 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.5 mtm -93.09 14.59 17.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -135.49 120.77 19.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.574 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 41.6 mt -121.52 139.52 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.5 mtt-85 -138.35 177.59 7.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.463 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 99.0 t -80.74 138.75 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.403 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -123.55 166.92 14.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.6 m -133.55 114.14 13.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.463 HG21 ' HE2' ' A' ' 18' ' ' MET . 22.0 t -63.97 102.62 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.16 -44.72 13.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.043 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -136.49 141.53 43.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.8 p -117.0 109.82 17.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.437 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 5.9 t0 -85.5 -175.88 5.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -51.26 -64.91 0.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -120.87 26.38 9.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.6 mtt85 -146.7 169.64 18.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 44' ' ' VAL . 33.7 m -154.93 123.28 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -68.33 112.89 5.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.481 HG12 HD21 ' A' ' 20' ' ' LEU . 14.5 m -97.71 116.97 41.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.082 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -108.42 124.09 49.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.53 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 3.8 m-85 -75.27 100.22 4.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' PHE . 3.6 t70 -37.08 120.2 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.531 ' O ' HD12 ' A' ' 83' ' ' LEU . . . 106.01 -48.73 0.94 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.536 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.53 ' CD1' ' HB3' ' A' ' 48' ' ' PHE . 57.3 m95 -59.97 142.73 53.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.333 . . . . 0.0 110.916 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -45.63 163.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -82.28 40.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 12.3 m -128.93 -39.67 1.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -57.25 -37.75 72.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.06 140.68 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -144.44 151.63 39.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.966 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.437 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 47.8 m95 -77.29 105.53 8.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.807 HG23 HD11 ' A' ' 66' ' ' ILE . 14.3 tt -109.69 144.08 18.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.469 ' O ' HD12 ' A' ' 66' ' ' ILE . 2.8 m-20 -69.27 127.31 32.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.602 ' HB1' ' CE1' ' A' ' 14' ' ' PHE . . . -62.98 -12.97 29.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -106.57 9.05 31.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.7 t -69.4 141.09 90.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.693 0.759 . . . . 0.0 110.818 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -14.16 35.58 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.658 2.238 . . . . 0.0 112.304 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.492 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -79.94 -32.9 40.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.807 HD11 HG23 ' A' ' 59' ' ' ILE . 19.5 mt -66.69 126.38 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 95.2 m-70 -129.2 141.85 43.18 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.605 0.716 . . . . 0.0 110.881 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 156.21 64.08 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.716 2.277 . . . . 0.0 112.366 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.7 t -57.48 104.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.144 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 122.65 9.1 6.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.541 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.574 ' CH2' ' HB2' ' A' ' 77' ' ' HIS . 0.6 OUTLIER -70.76 -14.23 62.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.719 0.295 . . . . 0.0 110.916 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 30.1 p -63.85 -19.88 65.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 74' ' ' LYS . 5.1 m -91.31 -51.9 5.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 73' ' ' SER . 16.4 mtpp -36.63 -63.19 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.8 p -79.76 -47.9 14.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.144 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.93 26.91 3.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.526 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.574 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 9.4 m-70 -97.22 144.66 28.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.614 0.721 . . . . 0.0 110.859 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 144.11 52.78 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.654 2.236 . . . . 0.0 112.309 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.415 HD13 ' OE2' ' A' ' 21' ' ' GLU . 13.5 tp -109.62 142.14 41.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -106.25 133.77 20.08 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.553 0.692 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 156.04 64.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -174.56 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.387 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 50' ' ' GLY . 8.1 mt -52.28 168.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 m -64.59 158.75 65.87 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.634 0.73 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -2.15 9.68 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.323 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.8 pp -111.47 -19.08 12.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -76.6 -41.11 47.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -65.29 -27.97 69.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 7.0 ptm -100.64 77.75 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -127.33 156.51 41.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 37.25 43.21 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 t -89.34 133.89 34.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -122.71 131.18 53.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -40.01 143.36 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -113.45 -153.89 11.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.531 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -81.04 -170.81 43.9 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.501 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 3.4 t -165.33 152.64 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.0 m -108.35 115.8 30.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.0 m -153.26 121.01 3.04 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.576 0.703 . . . . 0.0 111.116 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 169.89 17.92 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 112.42 -155.82 15.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.0 m -91.44 -51.8 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.56 172.62 47.13 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -176.12 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.707 2.271 . . . . 0.0 112.338 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.2 t -130.36 166.44 20.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 36.4 t -135.08 165.11 26.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -84.49 165.17 18.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.92 0.391 . . . . 0.0 110.825 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.1 p -115.86 149.81 38.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.77 159.49 31.13 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 t -153.56 107.94 3.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.372 . . . . 0.0 110.88 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 m -110.48 142.9 41.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.58 38.64 61.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.0 t -132.7 150.28 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.925 0.393 . . . . 0.0 111.122 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -116.72 147.83 40.71 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.578 0.704 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 148.7 65.57 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.639 2.226 . . . . 0.0 112.361 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -47.08 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.704 2.27 . . . . 0.0 112.312 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -122.41 -24.94 4.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.35 -47.12 1.04 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.532 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.481 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 41.1 m-85 -48.95 151.18 1.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.777 0.323 . . . . 0.0 110.889 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -121.84 162.24 21.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.509 ' HG3' HG23 ' A' ' 39' ' ' THR . 22.9 mtmt -92.57 157.31 16.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt 66.93 25.09 9.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.853 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.9 ptt? -115.95 -176.72 3.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 43.9 mmtm -118.45 153.59 33.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.841 HD11 HG22 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -168.42 143.38 3.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 67' ' ' HIS . 90.7 mt-10 -81.31 114.51 20.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.829 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.841 HG22 HD11 ' A' ' 20' ' ' LEU . 58.8 t -110.98 139.27 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.586 HG22 HG12 ' A' ' 31' ' ' ILE . 84.9 t -81.59 124.58 39.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 27' ' ' ASN . 21.1 t0 -63.06 114.3 3.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.511 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 3.1 mmmm -46.1 -58.13 3.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -60.14 -27.82 67.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 24' ' ' ASP . 23.8 m-20 -132.31 91.92 29.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.643 0.735 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.48 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.7 Cg_endo -69.77 -22.59 31.79 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.71 2.273 . . . . 0.0 112.327 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.8 mtt -88.66 15.17 8.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -136.53 127.69 28.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.586 HG12 HG22 ' A' ' 23' ' ' VAL . 37.0 mt -124.84 135.67 63.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.458 ' NH1' ' CZ2' ' A' ' 51' ' ' TRP . 14.8 mtp180 -134.12 176.8 8.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.466 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 55.9 t -74.7 148.85 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -137.76 161.42 36.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.045 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.3 m -130.82 114.92 15.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.6 102.55 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.6 -52.37 8.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -137.16 141.91 42.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.524 HG22 HG12 ' A' ' 44' ' ' VAL . 40.0 p -114.13 111.1 21.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -82.48 -176.55 6.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.487 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 1.2 m-20 -46.92 -63.63 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.487 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 3.2 m-70 -125.03 29.49 6.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -146.0 168.95 19.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.558 HG13 ' HB2' ' A' ' 61' ' ' ALA . 35.0 m -151.99 120.99 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -71.24 110.2 5.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.0 m -93.94 119.39 41.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.151 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -105.3 120.43 41.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.585 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 5.0 m-85 -82.98 92.43 7.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -43.72 132.78 4.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.414 ' C ' ' HB2' ' A' ' 83' ' ' LEU . . . 99.96 -37.49 3.53 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.51 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.585 ' CD1' ' HB3' ' A' ' 48' ' ' PHE . 11.4 m95 -60.57 167.87 2.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.761 0.315 . . . . 0.0 110.921 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.547 ' O ' ' CD2' ' A' ' 55' ' ' TYR . 9.4 t-20 -123.23 -174.52 2.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.466 ' O ' ' C ' ' A' ' 54' ' ' CYS . 9.1 t-20 44.6 45.56 7.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 56' ' ' ASP . 1.7 m 32.83 37.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.547 ' CD2' ' O ' ' A' ' 52' ' ' ASN . 9.5 m-85 -37.03 -28.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.5 OUTLIER -38.53 158.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.851 179.896 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.511 ' CZ ' ' HD3' ' A' ' 25' ' ' LYS . 5.7 p90 -155.56 156.58 35.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 46.4 m95 -79.29 107.54 12.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.974 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.879 HG23 HD11 ' A' ' 66' ' ' ILE . 15.8 tt -112.35 141.21 28.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.651 ' O ' HD12 ' A' ' 66' ' ' ILE . 1.1 m-20 -64.13 129.96 42.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.558 ' HB2' HG13 ' A' ' 44' ' ' VAL . . . -63.45 -24.03 67.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -98.96 19.45 15.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.5 t -78.65 140.69 59.48 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.639 0.733 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -22.9 31.34 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.668 2.245 . . . . 0.0 112.343 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.537 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -72.46 -28.04 62.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.879 HD11 HG23 ' A' ' 59' ' ' ILE . 56.6 mt -75.0 127.57 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.179 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.482 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 90.8 m-70 -129.1 143.29 48.22 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.597 0.713 . . . . 0.0 110.831 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 166.11 28.74 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.649 2.233 . . . . 0.0 112.367 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 37.6 t -65.4 100.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 126.65 13.96 2.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.58 ' CZ3' ' HB2' ' A' ' 77' ' ' HIS . 0.5 OUTLIER -77.79 -16.79 58.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.719 0.295 . . . . 0.0 110.892 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.403 ' HA ' ' CE3' ' A' ' 71' ' ' TRP . 25.4 p -65.05 -31.52 72.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 74' ' ' LYS . 1.5 t -84.53 -63.27 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.464 ' CG ' HG23 ' A' ' 75' ' ' THR . 16.8 ptmt -35.61 -36.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.499 HG21 ' CE2' ' A' ' 71' ' ' TRP . 21.7 p -99.77 -42.28 6.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.58 32.16 4.92 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.58 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 2.6 m80 -102.28 145.24 30.16 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.575 0.702 . . . . 0.0 110.825 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 129.4 17.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.637 2.225 . . . . 0.0 112.319 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.7 tp -100.76 148.2 25.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -120.63 129.76 25.16 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 110.933 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 158.96 55.17 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.656 2.237 . . . . 0.0 112.374 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 174.46 9.52 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.669 2.246 . . . . 0.0 112.319 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.414 ' HB2' ' C ' ' A' ' 50' ' ' GLY . 4.3 mm? -55.19 162.43 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.473 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 3.5 m -76.93 159.35 78.83 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.706 0.765 . . . . 0.0 110.821 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 1.96 3.99 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.636 2.224 . . . . 0.0 112.356 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 84' ' ' SER . 0.2 OUTLIER -112.94 -25.67 8.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -69.97 -17.39 63.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.8 pp -100.03 9.1 43.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 26.5 tpp -60.93 136.13 57.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -110.23 179.3 4.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -120.67 135.8 55.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.0 m -133.46 95.03 3.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -84.79 -44.73 13.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -41.24 159.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 179.92 166.52 35.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -157.55 -88.73 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 8.4 t 51.33 41.89 28.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.791 0.329 . . . . 0.0 110.859 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.3 t -115.26 103.71 11.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.6 t -104.81 125.82 32.84 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.565 0.698 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 113.23 3.3 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.729 2.286 . . . . 0.0 112.338 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -95.87 144.83 17.49 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -74.31 154.42 38.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.947 0.403 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -114.75 -77.02 0.71 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.447 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 161.75 44.74 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 2.238 . . . . 0.0 112.336 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.5 t -137.73 115.75 11.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.1 t -45.28 126.58 6.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.446 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.6 p -89.04 123.14 33.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.837 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 t -73.74 -62.27 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.99 99.45 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 t -37.53 111.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 110.91 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.0 p -133.75 104.74 6.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.59 76.74 0.22 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.461 HG22 ' N ' ' A' ' 9' ' ' LYS . 14.1 p -118.32 157.1 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.892 0.377 . . . . 0.0 111.13 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.461 ' N ' HG22 ' A' ' 8' ' ' VAL . 61.3 mttt -98.7 149.31 35.62 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.509 0.671 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 138.31 37.4 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.251 . . . . 0.0 112.326 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -46.47 1.19 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.318 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -121.93 -38.43 2.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.841 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 133.91 -44.55 1.18 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.505 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 52.2 m-85 -47.94 144.47 3.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -119.86 160.42 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -87.29 160.47 18.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp 62.94 29.92 16.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 16.6 ptt? -121.7 173.08 7.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HB2' HG21 ' A' ' 69' ' ' VAL . 22.4 mmtp -111.15 152.59 26.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.733 HD13 HG23 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -166.57 139.09 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.465 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 61.4 mt-10 -81.48 119.19 23.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.676 HG22 HD11 ' A' ' 20' ' ' LEU . 71.7 t -112.06 130.93 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.16 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.1 t -72.63 114.84 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.468 ' OD1' ' CZ ' ' A' ' 26' ' ' ARG . 7.7 t0 -51.17 111.63 0.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -48.63 -58.87 4.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.468 ' CZ ' ' OD1' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -51.73 -35.13 41.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.448 ' OD1' ' C ' ' A' ' 26' ' ' ARG . 3.9 m-20 -134.87 101.6 11.53 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.664 0.745 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -2.97 11.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.298 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 70.7 mtm -104.86 14.95 28.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -136.63 120.46 17.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.465 ' CG2' ' HB3' ' A' ' 21' ' ' GLU . 51.3 mt -119.86 138.57 50.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.3 mtt85 -135.51 179.29 6.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.42 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 96.5 t -82.23 148.33 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -138.93 145.48 39.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.8 m -115.66 110.21 18.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.03 103.24 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.34 -53.93 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -132.39 133.16 43.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.537 HG22 ' CG1' ' A' ' 44' ' ' VAL . 9.3 p -104.72 109.29 21.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.164 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.533 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 3.2 t70 -73.81 -174.71 1.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.99 -45.57 73.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.54 ' H ' ' CD2' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -124.99 8.3 8.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 40' ' ' ASP . 11.9 mtt85 -141.6 169.96 16.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.537 ' CG1' HG22 ' A' ' 39' ' ' THR . 29.8 m -148.97 119.05 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -62.08 122.51 15.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 46' ' ' VAL . 18.9 m -111.99 114.33 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -98.86 140.33 33.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.589 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 4.9 m-85 -95.35 95.33 8.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 48' ' ' PHE . 11.7 t0 -36.53 135.91 0.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.91 -43.02 3.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.498 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.593 ' CD1' HD23 ' A' ' 83' ' ' LEU . 57.6 m95 -67.79 139.08 56.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.332 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -39.53 160.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 50.8 p-10 -80.22 42.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 20.7 p -134.99 -40.04 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.844 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -50.31 -40.26 48.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -39.38 159.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -165.14 153.52 11.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.533 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 58.8 m95 -79.49 104.79 10.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.824 HG23 HD11 ' A' ' 66' ' ' ILE . 15.9 tt -105.48 144.88 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.18 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.03 120.09 13.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.505 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -56.09 -28.6 58.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -93.17 21.31 6.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.9 t -81.61 138.04 47.65 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 110.847 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -16.0 37.18 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.707 2.271 . . . . 0.0 112.326 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.99 -37.53 54.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.824 HD11 HG23 ' A' ' 59' ' ' ILE . 36.4 mt -62.02 123.75 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.523 ' HB3' ' CG ' ' A' ' 71' ' ' TRP . 95.2 m-70 -125.67 147.67 59.23 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.569 0.699 . . . . 0.0 110.863 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 163.66 37.43 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.466 HG21 ' HB2' ' A' ' 19' ' ' LYS . 17.8 t -58.1 -29.35 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.14 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.83 18.76 49.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.534 ' CZ3' ' HB2' ' A' ' 77' ' ' HIS . 87.5 t90 -70.63 -45.46 65.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.745 0.307 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 14.0 p -47.54 -32.5 5.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.1 m -85.78 -59.11 2.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -42.68 -41.98 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.515 HG21 ' CE2' ' A' ' 71' ' ' TRP . 61.6 p -93.14 -55.16 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 110.26 35.82 2.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.44 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.534 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 3.8 m80 -107.52 148.6 37.53 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 128.93 16.74 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 0.0 112.375 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.431 HD13 ' CD ' ' A' ' 21' ' ' GLU . 25.2 tp -95.48 143.84 26.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -101.34 132.89 21.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.576 0.703 . . . . 0.0 110.917 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 149.44 66.63 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.673 2.249 . . . . 0.0 112.304 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 177.8 5.23 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.724 2.282 . . . . 0.0 112.304 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.593 HD23 ' CD1' ' A' ' 51' ' ' TRP . 4.1 mm? -63.32 173.47 1.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 m -66.0 160.48 62.95 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.705 0.764 . . . . 0.0 110.842 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 1.43 4.43 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.694 2.262 . . . . 0.0 112.351 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 87' ' ' GLU . 3.9 pp -89.27 -37.61 14.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.406 ' N ' HD12 ' A' ' 86' ' ' LEU . 45.1 mm-40 -61.83 -54.63 39.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.54 HD12 ' N ' ' A' ' 89' ' ' MET . 3.8 pp -51.66 -40.73 60.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.54 ' N ' HD12 ' A' ' 88' ' ' LEU . 17.7 tmm? -55.95 101.89 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -103.7 -50.74 3.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -137.67 120.06 15.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 86.4 p -65.24 169.71 5.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -159.93 108.3 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -69.02 -55.13 11.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 122.12 -153.21 16.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -100.21 -110.31 3.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 19.1 m -121.66 150.59 41.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.791 0.329 . . . . 0.0 110.902 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.1 p -104.83 124.38 49.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.2 t -114.32 140.16 24.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.576 0.703 . . . . 0.0 111.135 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 174.35 9.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.662 2.241 . . . . 0.0 112.327 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -140.77 -160.06 8.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 81.0 p -92.83 174.48 7.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.382 . . . . 0.0 110.864 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -104.27 139.96 14.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 177.19 5.87 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.0 t -165.84 154.9 11.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.2 m -67.06 156.95 34.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.44 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -65.35 128.66 36.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.892 0.377 . . . . 0.0 110.829 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 t -66.45 87.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.59 -170.19 53.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.479 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 t -67.26 160.91 26.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.918 0.389 . . . . 0.0 110.823 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.8 p -77.63 -48.11 17.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.832 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.21 -52.87 2.48 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.2 p -98.19 141.94 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.888 0.375 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -123.97 146.32 50.66 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 0.0 110.904 179.906 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 163.95 36.35 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.383 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -45.63 1.51 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.74 2.293 . . . . 0.0 112.3 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.434 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 2.9 p80 -121.83 -21.91 5.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 14' ' ' PHE . . . 119.19 -55.46 0.6 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.491 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.681 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 42.1 m-85 -37.0 148.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.855 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -121.62 166.61 13.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -89.35 149.68 22.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.0 mttt 68.83 27.62 5.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.416 ' SD ' HG23 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -107.58 179.88 4.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.871 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.479 ' O ' HG23 ' A' ' 69' ' ' VAL . 28.6 mmtt -122.55 138.15 54.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.775 HD13 HG23 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -155.56 140.01 16.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 67' ' ' HIS . 86.7 mt-10 -81.32 116.0 20.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.774 HG22 HD11 ' A' ' 20' ' ' LEU . 95.9 t -108.25 135.61 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.557 HG22 HG12 ' A' ' 31' ' ' ILE . 74.2 t -81.16 123.08 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -60.66 128.97 39.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 26' ' ' ARG . 24.6 mmtt -62.75 -54.33 40.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.601 ' NE ' ' H ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -56.54 -31.81 64.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -135.0 94.03 16.62 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.604 0.716 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -5.18 15.59 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.665 2.243 . . . . 0.0 112.379 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.4 mtm -100.25 9.63 42.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -132.29 136.72 47.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.602 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 20.4 mt -129.18 144.45 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.3 mtt85 -141.69 160.36 40.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.3 t -65.8 145.91 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 20' ' ' LEU . . . -133.57 167.77 19.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.3 m -140.58 116.69 10.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.416 HG23 ' SD ' ' A' ' 18' ' ' MET . 47.5 t -62.53 102.88 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.98 -42.42 17.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.092 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -141.38 133.81 28.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.2 p -107.91 112.79 25.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.556 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 6.5 t70 -88.52 -175.61 5.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -49.21 -63.34 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -124.98 28.45 6.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -146.7 169.97 17.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 44' ' ' VAL . 27.0 m -153.84 118.27 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -64.97 111.1 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.417 HG11 HG21 ' A' ' 22' ' ' VAL . 3.2 m -92.05 121.11 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 32.1 t60 -103.64 117.88 35.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' ASP . 4.2 m-85 -76.81 97.98 4.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' PHE . 26.3 t70 -35.66 138.03 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.47 -68.13 3.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.489 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.644 ' CD1' ' CD1' ' A' ' 83' ' ' LEU . 62.4 m95 -44.19 164.96 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.836 0.351 . . . . 0.0 110.882 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -72.96 168.4 19.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -78.83 -15.94 57.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 15.9 p -73.15 -15.1 61.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -87.42 -27.07 22.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.402 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 0.9 OUTLIER -54.99 156.46 3.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -157.09 155.73 31.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.556 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 39.7 m95 -80.8 106.03 12.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.947 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.659 HG23 HD11 ' A' ' 66' ' ' ILE . 14.6 tt -108.57 145.52 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.113 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.726 ' O ' HD12 ' A' ' 66' ' ' ILE . 7.8 m-20 -73.2 126.39 29.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.681 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -59.26 -20.41 54.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -96.65 5.49 50.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.3 t -65.29 142.15 98.38 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.705 0.764 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -26.86 27.17 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.65 2.233 . . . . 0.0 112.384 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.429 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 0.6 OUTLIER -68.89 -36.03 77.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.775 HG23 HD13 ' A' ' 20' ' ' LEU . 56.7 mt -60.92 118.04 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.073 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 98.2 m-70 -121.96 142.02 35.43 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.561 0.696 . . . . 0.0 110.851 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 157.91 58.79 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.667 2.244 . . . . 0.0 112.34 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 19' ' ' LYS . 18.0 t -58.56 104.8 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 121.32 11.51 6.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.451 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.602 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 1.2 t90 -70.27 -14.4 62.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.817 0.342 . . . . 0.0 110.958 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 17.3 p -64.56 -22.42 66.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 74' ' ' LYS . 3.1 m -81.0 -56.3 4.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 73' ' ' SER . 8.2 mtpm? -35.24 -73.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.0 p -73.6 -30.25 62.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.75 26.0 23.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.572 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 0.7 OUTLIER -85.54 144.83 40.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.611 0.72 . . . . 0.0 110.832 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 129.85 18.29 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.695 2.263 . . . . 0.0 112.301 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 22.1 tp -96.44 154.28 17.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -118.1 125.48 27.91 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.526 0.679 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 161.74 44.78 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -175.1 1.05 Allowed 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.657 2.238 . . . . 0.0 112.372 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.741 HD22 ' OE1' ' A' ' 87' ' ' GLU . 5.0 mp -80.32 177.27 9.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -66.27 156.51 84.86 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.666 0.746 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 0.09 6.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.676 2.25 . . . . 0.0 112.311 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.483 ' O ' HD12 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -88.83 -15.43 34.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.741 ' OE1' HD22 ' A' ' 83' ' ' LEU . 23.5 mt-10 -88.2 -35.74 17.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.725 HD12 ' O ' ' A' ' 88' ' ' LEU . 4.5 pp -92.64 26.89 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 31.5 ttm -84.23 164.16 19.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 41.26 39.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -101.13 -57.51 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.053 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.5 m -93.56 118.18 31.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -78.83 105.87 10.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -131.12 153.16 49.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -72.97 132.37 17.0 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.45 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -111.41 116.86 4.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 28.5 p -80.81 153.01 27.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 0.0 110.922 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.9 p -115.52 117.04 29.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 67.1 p -106.97 84.75 1.67 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.555 0.693 . . . . 0.0 111.196 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 170.57 16.27 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.709 2.272 . . . . 0.0 112.321 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -142.06 157.87 26.58 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.449 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.1 m -143.49 -178.31 5.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.904 0.383 . . . . 0.0 110.844 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -167.58 145.77 10.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -171.33 0.46 Allowed 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.733 2.289 . . . . 0.0 112.358 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.8 m -130.99 162.09 30.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.8 p -151.18 172.25 16.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.826 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 t -157.87 144.53 17.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.367 . . . . 0.0 110.842 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.6 p -142.15 170.01 16.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.78 -171.54 22.67 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -83.46 42.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.903 0.382 . . . . 0.0 110.849 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.1 p -162.9 167.45 22.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.04 -57.28 5.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.449 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.5 p -84.4 143.37 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.901 0.382 . . . . 0.0 111.094 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -122.03 146.07 45.45 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.571 0.701 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.403 ' HA ' ' HD2' ' A' ' 11' ' ' PRO . 54.4 Cg_endo -69.73 110.37 2.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.258 . . . . 0.0 112.389 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 10' ' ' PRO . 53.3 Cg_endo -69.72 -40.75 5.02 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.756 2.304 . . . . 0.0 112.311 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -126.84 -27.79 3.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.18 -50.26 0.87 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.694 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 46.8 m-85 -48.02 145.38 3.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.871 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.574 ' O ' HG11 ' A' ' 36' ' ' VAL . 55.0 mt-30 -116.82 179.04 4.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.57 ' HG3' HG23 ' A' ' 39' ' ' THR . 15.4 mtmt -105.02 152.71 22.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 72.0 mttt 66.78 25.09 9.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.45 ' CE ' HG21 ' A' ' 36' ' ' VAL . 11.3 ptt? -113.44 -174.98 2.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -117.47 144.33 45.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.795 HD21 HG12 ' A' ' 46' ' ' VAL . 0.5 OUTLIER -157.82 148.67 21.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.841 ' OE1' HG22 ' A' ' 31' ' ' ILE . 9.3 mm-40 -91.09 140.46 29.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.657 ' CG2' HD11 ' A' ' 20' ' ' LEU . 61.8 t -134.67 138.82 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.576 HG22 HG12 ' A' ' 31' ' ' ILE . 94.4 t -81.34 119.01 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 27' ' ' ASN . 2.4 t70 -52.23 116.03 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -47.32 -58.66 3.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.93 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -62.97 -28.93 70.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.41 ' HA ' ' HD2' ' A' ' 28' ' ' PRO . 3.9 m120 -126.24 91.89 46.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.627 0.727 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.51 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.3 Cg_endo -69.76 -5.66 16.75 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.725 2.283 . . . . 0.0 112.342 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 20.4 mtt -106.01 11.59 31.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -136.51 126.7 26.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.841 HG22 ' OE1' ' A' ' 21' ' ' GLU . 14.5 mt -121.92 139.69 48.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.161 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.449 ' C ' ' OE1' ' A' ' 21' ' ' GLU . 66.9 mtt85 -131.2 153.16 49.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.485 HG22 ' OE2' ' A' ' 21' ' ' GLU . 75.9 t -62.2 146.29 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.517 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -131.41 172.93 11.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.8 m -137.67 112.21 8.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.574 HG11 ' O ' ' A' ' 15' ' ' GLN . 21.7 t -62.48 104.11 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.81 -41.73 17.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -148.0 136.61 21.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.57 HG23 ' HG3' ' A' ' 16' ' ' LYS . 78.1 p -109.16 113.0 25.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.137 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.455 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 9.9 t70 -84.35 -179.38 7.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -42.74 -57.58 2.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -133.19 32.61 3.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -147.53 169.68 19.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 44' ' ' VAL . 26.9 m -152.46 118.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -66.59 104.28 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.795 HG12 HD21 ' A' ' 20' ' ' LEU . 11.5 m -88.45 113.18 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -101.09 116.04 31.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -75.41 106.39 6.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -43.62 127.81 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.424 ' C ' HD12 ' A' ' 83' ' ' LEU . . . 88.88 -58.93 3.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.443 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -47.72 133.57 13.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.822 0.344 . . . . 0.0 110.873 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -40.82 130.14 2.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 5.9 m-80 -42.53 -44.37 4.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.5 m -43.77 -41.84 5.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 56' ' ' ASP . 35.4 m-85 -50.38 -51.03 49.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 0.7 OUTLIER -34.94 151.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 179.885 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -160.93 154.0 21.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.455 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 52.9 m95 -77.09 105.54 8.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.946 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.86 HG23 HD11 ' A' ' 66' ' ' ILE . 17.0 tt -111.57 143.29 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.77 ' O ' HD12 ' A' ' 66' ' ' ILE . 78.8 m-20 -66.14 125.33 25.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.694 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -59.45 -26.73 65.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -92.49 6.91 45.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.4 t -59.72 139.17 89.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.676 0.751 . . . . 0.0 110.868 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -15.14 36.87 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.709 2.273 . . . . 0.0 112.301 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.57 -32.78 21.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.86 HD11 HG23 ' A' ' 59' ' ' ILE . 56.3 mt -65.1 124.71 20.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 21' ' ' GLU . 99.0 m-70 -126.97 142.15 42.79 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.606 0.717 . . . . 0.0 110.854 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 153.26 69.28 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.4 t -48.01 -20.66 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.96 33.09 6.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.571 ' CH2' ' HB2' ' A' ' 77' ' ' HIS . 64.9 t90 -94.74 -50.63 5.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.782 0.325 . . . . 0.0 110.967 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.0 p -41.9 -42.51 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 74' ' ' LYS . 36.9 m -78.42 -57.7 3.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 73' ' ' SER . 23.5 mtpp -36.96 -55.19 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.7 p -83.5 -44.7 14.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.16 27.76 5.77 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.538 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.571 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 9.9 m-70 -93.3 145.17 29.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.624 0.726 . . . . 0.0 110.805 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 122.84 9.53 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.534 HD21 ' OE2' ' A' ' 21' ' ' GLU . 21.8 tp -94.04 152.36 18.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -115.1 134.49 22.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.585 0.707 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.55 68.25 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.338 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -178.23 2.24 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.706 2.271 . . . . 0.0 112.347 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' A' ' 83' ' ' LEU . 9.6 mt -47.68 165.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.6 m -69.64 156.64 91.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.646 0.736 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.495 ' HA ' HD21 ' A' ' 88' ' ' LEU . 53.8 Cg_endo -69.72 -5.71 16.84 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.715 2.277 . . . . 0.0 112.367 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 pp -91.95 -9.06 44.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -88.66 -49.0 7.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.627 HD23 ' H ' ' A' ' 88' ' ' LEU . 1.3 pt? -84.73 34.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 31.1 mtt -67.24 151.82 46.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 39.82 33.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.31 152.95 19.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 t -94.42 145.87 24.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -169.65 176.9 4.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -81.44 143.52 32.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.43 -83.14 1.24 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.459 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.54 66.89 1.48 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.479 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 26.3 p -72.26 145.83 47.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.839 0.352 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 73.9 p -112.41 157.62 20.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.0 t -110.74 141.37 23.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.613 0.721 . . . . 0.0 111.106 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 158.57 56.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.729 2.286 . . . . 0.0 112.311 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 105.45 159.59 23.04 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.459 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.8 t -171.69 108.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.935 0.398 . . . . 0.0 110.861 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -113.37 -158.3 12.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 167.05 25.55 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.652 2.235 . . . . 0.0 112.396 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.2 p -125.18 116.88 22.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.1 m -81.53 151.94 27.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 -179.923 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.6 m -71.58 167.95 18.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.371 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -86.34 114.35 23.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.99 110.68 0.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 t -111.31 -63.77 1.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.911 0.386 . . . . 0.0 110.831 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.7 p 45.08 53.43 7.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.68 39.07 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.8 p -137.27 153.19 28.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 111.132 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -84.41 143.86 42.37 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.559 0.695 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 129.81 18.23 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.733 2.288 . . . . 0.0 112.308 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -41.1 4.61 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.658 2.239 . . . . 0.0 112.395 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.443 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 1.4 p80 -126.06 -40.08 2.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 129.72 37.78 0.35 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.45 ' CZ ' HG21 ' A' ' 66' ' ' ILE . 16.6 m-85 -138.87 145.82 40.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.341 . . . . 0.0 110.887 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -120.57 162.3 19.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -87.47 149.99 24.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.6 mttp 68.88 25.79 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.544 ' CE ' HG21 ' A' ' 36' ' ' VAL . 12.2 ptt? -110.8 173.78 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.459 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 40.1 mmtm -114.55 149.19 36.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.872 HD11 HG22 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -164.2 140.51 6.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 67' ' ' HIS . 84.5 mt-10 -81.34 116.81 21.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.872 HG22 HD11 ' A' ' 20' ' ' LEU . 59.8 t -110.35 138.92 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.119 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.495 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 98.6 t -81.98 114.3 22.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 27' ' ' ASN . 19.7 t0 -52.72 109.38 0.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.476 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 1.7 mmmm -43.3 -58.94 2.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -57.86 -34.53 69.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 24' ' ' ASP . 1.6 m-20 -126.98 90.59 49.1 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.495 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.7 Cg_endo -69.75 -14.81 36.65 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.362 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -92.35 11.96 24.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -135.22 135.59 41.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.826 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.559 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 34.1 mt -129.27 143.45 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 -140.82 178.24 7.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.459 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 76.0 t -85.2 137.2 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.434 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -121.3 161.71 21.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.4 m -129.96 106.11 8.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.13 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.544 HG21 ' CE ' ' A' ' 18' ' ' MET . 11.7 t -56.95 104.0 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.12 -49.47 8.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -135.74 134.63 39.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.2 p -107.05 110.71 22.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 43' ' ' ARG . 12.4 t0 -75.55 -174.76 2.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.824 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.86 -39.2 83.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.476 ' H ' ' CD2' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -132.24 9.76 4.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 40' ' ' ASP . 17.0 mtt85 -142.25 173.4 11.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 44' ' ' VAL . 31.1 m -152.66 118.93 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.178 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -64.2 119.17 9.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.6 m -103.91 117.09 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -104.72 121.08 42.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -76.91 115.31 16.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -49.49 125.53 11.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.717 ' HA2' HD22 ' A' ' 88' ' ' LEU . . . 93.78 -45.34 2.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.45 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.608 ' CD1' HD13 ' A' ' 83' ' ' LEU . 11.8 m0 -59.59 156.4 13.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 110.916 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -69.81 138.37 52.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.429 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 5.9 m120 -41.9 -41.18 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 60.9 m -45.71 -58.76 3.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 56' ' ' ASP . 74.0 m-85 -38.81 -45.55 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 2.8 m-20 -36.53 147.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.416 ' CZ ' ' HD3' ' A' ' 25' ' ' LYS . 4.1 p90 -156.42 145.99 20.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.975 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.488 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 50.9 m95 -72.65 105.37 4.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.781 HG23 HD11 ' A' ' 66' ' ' ILE . 14.1 tt -107.39 142.43 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.611 ' O ' HD12 ' A' ' 66' ' ' ILE . 6.4 m-20 -65.65 129.55 40.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.07 -27.31 68.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.68 23.26 8.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.8 t -78.89 141.53 59.3 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.661 0.743 . . . . 0.0 110.828 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -22.55 31.71 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.326 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.44 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 0.1 OUTLIER -74.9 -33.13 61.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.781 HD11 HG23 ' A' ' 59' ' ' ILE . 33.0 mt -64.56 123.74 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.522 ' HB3' ' CD1' ' A' ' 71' ' ' TRP . 85.0 m-70 -128.88 143.39 48.47 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.611 0.719 . . . . 0.0 110.842 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 158.43 57.02 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.347 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.445 HG21 ' HB2' ' A' ' 19' ' ' LYS . 17.5 t -50.2 -24.69 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -96.59 38.08 3.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.559 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 84.4 t90 -94.01 -61.44 1.53 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.756 0.312 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 30.1 p -41.13 -24.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' TRP . 47.7 m -91.18 -61.43 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.551 ' HE2' ' CD1' ' A' ' 71' ' ' TRP . 26.4 pttt -46.38 -33.54 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.45 HG21 ' CE2' ' A' ' 71' ' ' TRP . 36.1 p -99.8 -15.45 18.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.95 25.15 75.94 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.545 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 8.6 m-70 -91.53 151.13 42.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 141.45 44.93 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.0 tp -116.49 155.6 28.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -115.06 131.84 23.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.728 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 149.32 66.79 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.731 2.287 . . . . 0.0 112.377 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -166.44 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.709 2.273 . . . . 0.0 112.331 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.608 HD13 ' CD1' ' A' ' 51' ' ' TRP . 6.8 mp -98.32 166.79 11.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 m -77.01 159.35 78.65 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.665 0.745 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 0.47 5.62 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 pp -88.48 -34.14 17.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -62.0 -56.32 20.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.717 HD22 ' HA2' ' A' ' 50' ' ' GLY . 1.9 pt? -88.58 25.89 1.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 42.9 ttm -46.4 132.7 10.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -86.08 161.61 18.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -91.29 -44.58 9.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.6 t -123.1 105.25 9.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -79.02 161.48 26.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -135.88 149.01 48.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.36 160.49 52.29 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.533 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -164.01 -121.43 0.56 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 3.0 t -70.04 137.99 51.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.825 0.345 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.7 m -96.76 128.89 44.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.694 ' O ' HG22 ' A' ' 99' ' ' THR . 71.9 m 65.21 43.09 0.37 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.72 . . . . 0.0 111.168 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 99' ' ' THR . 53.9 Cg_endo -69.67 -42.21 3.7 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.383 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 143.88 81.82 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.7 p -55.65 -50.37 70.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.938 0.399 . . . . 0.0 110.869 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.59 84.31 0.12 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 122.77 9.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.5 p -128.17 158.54 37.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.2 m -128.89 164.66 22.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.507 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.8 p -140.41 162.53 35.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.875 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 p -68.51 169.55 10.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.07 126.93 3.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 p -107.39 158.46 17.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.889 0.376 . . . . 0.0 110.84 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -136.42 160.77 37.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.92 -69.0 0.24 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.2 p -119.37 140.71 42.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.855 0.36 . . . . 0.0 111.147 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.34 143.96 27.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.575 0.702 . . . . 0.0 110.91 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 168.49 21.49 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -45.55 1.55 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.537 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 1.3 p80 -126.39 -42.23 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.75 29.11 1.08 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.537 ' HB2' ' CE1' ' A' ' 12' ' ' HIS . 4.9 m-85 -121.8 169.29 10.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 110.875 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -139.72 165.42 27.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -93.18 156.3 16.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.5 mttm 63.97 27.27 14.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.3 ptt? -113.97 172.52 6.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.881 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.443 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 35.6 mmtm -110.03 146.59 35.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.792 HD11 HG22 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -164.07 141.0 6.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.471 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 81.2 mt-10 -81.64 116.26 21.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.792 HG22 HD11 ' A' ' 20' ' ' LEU . 87.1 t -109.2 139.45 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.15 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 65' ' ' ASP . 93.8 t -80.06 115.25 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -53.25 115.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 10.8 mmmt -51.25 -58.4 6.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -56.18 -30.93 62.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.416 ' HA ' ' HD2' ' A' ' 28' ' ' PRO . 1.2 m-20 -131.84 92.71 29.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.658 0.742 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 27' ' ' ASN . 53.6 Cg_endo -69.74 -4.69 14.52 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 35.5 mtm -103.1 12.02 36.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -135.41 131.62 36.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.496 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 39.5 mt -127.91 136.55 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.189 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.6 mtt85 -137.97 165.14 27.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.443 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 86.2 t -66.08 144.12 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.446 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -128.99 172.46 11.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.113 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.3 m -138.09 112.4 8.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.8 t -66.92 104.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.11 -43.67 23.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.044 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -148.86 142.89 25.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.502 HG22 HG12 ' A' ' 44' ' ' VAL . 65.2 p -112.32 116.05 29.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.484 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 6.2 t70 -86.69 -176.47 5.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -44.48 -61.09 1.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -129.06 27.98 5.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.1 mtm-85 -141.89 170.05 16.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.502 HG12 HG22 ' A' ' 39' ' ' THR . 22.8 m -153.79 118.68 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -67.12 108.71 2.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.476 HG12 HD21 ' A' ' 20' ' ' LEU . 8.7 m -98.85 116.46 41.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -104.96 132.6 51.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -87.21 130.8 34.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -79.67 141.87 36.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.44 ' C ' ' HB2' ' A' ' 83' ' ' LEU . . . 83.62 -30.01 3.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.514 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.484 ' CD1' HD13 ' A' ' 83' ' ' LEU . 15.4 m0 -66.5 166.89 11.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -79.46 -173.78 3.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.49 ' O ' ' HB2' ' A' ' 54' ' ' CYS . 36.7 m-20 -87.35 172.87 9.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 53' ' ' ASN . 1.3 m 69.09 33.38 3.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.483 ' CD1' ' O ' ' A' ' 53' ' ' ASN . 76.4 m-85 -119.23 -49.61 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.457 ' C ' ' O ' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -33.96 130.03 0.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -143.19 149.3 37.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.484 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 51.6 m95 -80.15 105.06 11.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.953 HG23 HD11 ' A' ' 66' ' ' ILE . 14.0 tt -107.25 136.11 43.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.72 124.77 21.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.25 -20.69 63.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.054 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -95.99 6.11 49.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.5 t -69.09 136.45 89.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.667 0.746 . . . . 0.0 110.893 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -9.66 26.68 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.753 2.302 . . . . 0.0 112.371 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.65 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -80.07 -31.89 39.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.953 HD11 HG23 ' A' ' 59' ' ' ILE . 41.5 mt -71.64 130.96 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.473 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 94.8 m-70 -129.14 143.11 47.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.586 0.707 . . . . 0.0 110.85 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 158.24 57.61 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.409 ' O ' HG12 ' A' ' 69' ' ' VAL . 15.0 t -59.28 101.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 122.16 16.2 4.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 77' ' ' HIS . 1.7 t90 -74.18 -18.75 60.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.769 0.318 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.1 p -54.82 -40.89 70.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 74' ' ' LYS . 38.2 t -77.06 -48.94 16.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' SER . 24.6 mtpp -37.17 -61.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.6 p -83.74 -44.17 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.2 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.88 28.53 3.12 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.568 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 8.1 m80 -102.29 143.51 26.75 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.585 0.707 . . . . 0.0 110.837 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 137.72 36.13 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.4 tp -102.68 138.97 38.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -100.57 130.98 24.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.615 0.722 . . . . 0.0 110.935 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 150.27 68.06 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 165.95 29.24 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.656 2.238 . . . . 0.0 112.387 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.484 HD13 ' CD1' ' A' ' 51' ' ' TRP . 7.2 mp -79.18 165.58 23.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.444 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 1.8 m -62.73 158.79 49.16 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.688 0.756 . . . . 0.0 110.858 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.519 ' HA ' HD21 ' A' ' 88' ' ' LEU . 53.8 Cg_endo -69.81 1.5 4.41 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.444 ' CD2' ' HB3' ' A' ' 84' ' ' SER . 0.1 OUTLIER -104.65 -39.52 6.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -45.94 -21.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.566 HD23 ' H ' ' A' ' 88' ' ' LEU . 1.3 pt? -105.39 46.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 41.1 mtt -122.42 154.47 37.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 91' ' ' ALA . 18.8 tt0 -133.22 133.89 43.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 90' ' ' GLU . . . -35.12 149.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.2 m -106.38 -50.89 3.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.473 ' C ' ' CD ' ' A' ' 93' ' ' GLU . 1.3 pp20? -117.07 165.74 13.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -133.47 117.81 17.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 137.84 62.82 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.524 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -75.71 -76.84 0.76 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.411 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 27.9 p -93.7 153.84 18.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.808 0.337 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.3 t 62.06 51.68 3.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.09 144.13 28.01 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.574 0.702 . . . . 0.0 111.124 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 149.87 67.56 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 0.0 112.361 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 157.93 132.14 1.39 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 79.5 p -122.43 173.74 7.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 0.0 110.839 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.59 162.28 47.18 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 169.15 19.59 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.0 t -155.81 176.2 12.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.6 p -47.03 -37.64 9.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.45 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 m -77.16 93.09 3.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.911 0.386 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 t -155.43 152.65 29.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.53 73.27 2.61 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.517 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.0 p -140.22 163.28 33.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 110.854 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -115.99 172.25 7.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 44.72 81.08 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.446 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.5 p -103.52 149.71 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.386 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 pttm -100.24 143.49 26.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.569 0.699 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 135.86 31.46 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.346 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.433 ' CB ' ' O ' ' A' ' 41' ' ' ASP . 53.9 Cg_endo -69.78 -38.99 7.0 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.502 ' CE1' ' CG1' ' A' ' 44' ' ' VAL . 10.4 p80 -162.59 -174.96 4.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.31 56.66 0.52 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.503 ' CE2' HG21 ' A' ' 66' ' ' ILE . 40.0 m-85 -139.52 146.6 40.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.794 0.331 . . . . 0.0 110.899 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -125.11 170.16 11.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.469 ' CE ' ' HA ' ' A' ' 38' ' ' ASP . 19.1 mttt -89.39 147.64 23.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.0 mttt 67.94 33.56 4.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 10.0 ptt? -120.19 174.81 6.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.545 ' O ' HG23 ' A' ' 69' ' ' VAL . 20.0 mmtp -111.11 147.67 34.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.684 HD11 ' CG2' ' A' ' 22' ' ' VAL . 0.4 OUTLIER -164.66 139.55 5.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.474 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 89.0 mt-10 -84.53 123.66 30.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.684 ' CG2' HD11 ' A' ' 20' ' ' LEU . 70.9 t -116.54 139.42 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 65' ' ' ASP . 95.5 t -79.09 118.94 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -56.83 106.94 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -42.17 -58.37 2.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.7 ptt85 -54.3 -41.04 68.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -126.98 95.96 35.74 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.634 0.731 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.47 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 54.5 Cg_endo -69.72 -3.11 11.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.262 . . . . 0.0 112.398 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -101.9 12.31 37.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -136.25 122.06 19.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.566 ' CD1' ' CH2' ' A' ' 71' ' ' TRP . 34.3 mt -121.09 138.15 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -137.66 168.22 20.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.461 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 59.3 t -74.21 139.8 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.404 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -123.23 174.2 7.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.8 m -138.63 112.16 8.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.154 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.1 t -64.35 103.98 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.27 -45.76 19.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.469 ' HA ' ' CE ' ' A' ' 16' ' ' LYS . 5.8 t0 -146.85 138.62 24.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 70.4 p -104.42 109.29 21.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.502 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 2.0 t70 -77.2 179.06 6.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 11' ' ' PRO . 4.9 m-20 -47.76 -57.22 5.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -128.28 17.78 6.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 40' ' ' ASP . 37.4 mtt85 -138.69 170.99 15.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.502 ' CG1' ' CE1' ' A' ' 12' ' ' HIS . 27.8 m -150.16 131.29 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -76.79 107.59 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.531 HG12 HD21 ' A' ' 20' ' ' LEU . 12.5 m -93.0 113.74 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -105.36 125.54 51.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -81.56 117.11 21.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -47.57 117.47 1.83 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.92 -40.83 2.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.531 ' CD1' HD13 ' A' ' 83' ' ' LEU . 12.3 m0 -58.66 145.82 38.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.31 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -61.96 146.26 50.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -46.42 -39.07 9.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.0 m -53.12 -50.21 64.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.443 ' O ' ' C ' ' A' ' 56' ' ' ASP . 10.1 m-85 -44.1 -54.96 5.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 55' ' ' TYR . 2.2 m-20 -34.21 148.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.902 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -154.9 148.23 25.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.502 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 46.1 m95 -75.66 105.16 6.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.496 HG23 HD11 ' A' ' 66' ' ' ILE . 16.2 tt -107.62 143.6 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 63' ' ' SER . 4.7 m-20 -72.32 121.69 19.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.24 -37.82 65.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -72.48 1.99 7.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 60' ' ' ASP . 20.5 t -67.75 133.73 92.38 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.712 0.767 . . . . 0.0 110.841 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -23.81 30.62 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.473 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -65.67 -34.24 77.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.592 HG23 HD13 ' A' ' 20' ' ' LEU . 83.4 mt -63.29 130.46 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.484 ' HB3' ' CG ' ' A' ' 71' ' ' TRP . 87.5 m-70 -129.11 142.32 44.79 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.544 0.688 . . . . 0.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 153.96 68.41 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 19' ' ' LYS . 10.6 t -45.68 -29.12 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.143 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.31 45.56 1.54 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.566 ' CH2' ' CD1' ' A' ' 31' ' ' ILE . 81.3 t90 -95.14 -53.31 3.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.789 0.328 . . . . 0.0 110.921 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 71' ' ' TRP . 32.0 p -35.85 -39.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 74' ' ' LYS . 13.3 p -72.66 -64.56 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' SER . 14.7 mtpp -34.28 -66.94 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.6 p -75.44 -20.06 59.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.9 33.38 57.62 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.519 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.434 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 5.1 m-70 -99.06 150.98 37.2 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 0.0 110.826 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 148.57 64.95 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.306 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.451 HD12 ' O ' ' A' ' 31' ' ' ILE . 29.7 tp -118.66 150.16 40.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -108.98 132.15 21.36 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.556 0.693 . . . . 0.0 110.96 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 149.73 67.45 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.349 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 177.74 5.27 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.38 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.531 HD13 ' CD1' ' A' ' 51' ' ' TRP . 5.6 mp -60.18 154.38 19.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.4 m -45.55 157.54 0.37 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.606 0.717 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -2.46 10.19 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.621 2.214 . . . . 0.0 112.414 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.1 pp -106.61 -30.79 8.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.03 -28.77 69.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.446 HD12 ' N ' ' A' ' 89' ' ' MET . 3.8 pp -66.51 -37.79 85.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.446 ' N ' HD12 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -57.23 -46.13 83.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -47.37 -52.42 16.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.45 138.26 40.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 17.3 t -163.41 140.58 7.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -104.0 126.12 50.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.9 p80 37.98 37.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -92.17 113.99 4.5 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.516 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.29 53.11 0.16 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 87.8 m -89.47 126.67 35.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 0.0 110.855 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.8 p -115.9 79.11 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.1 p -93.56 147.82 34.34 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.555 0.693 . . . . 0.0 111.169 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 89.86 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.717 2.278 . . . . 0.0 112.331 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -173.14 -101.07 0.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.459 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 93.4 p -95.33 143.57 26.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.907 0.384 . . . . 0.0 110.858 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 166.64 -85.06 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.513 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -14.36 35.92 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.71 2.273 . . . . 0.0 112.367 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 85.3 p -49.13 155.91 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.4 t -96.52 155.06 16.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 -179.913 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 m -140.88 177.22 8.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 110.874 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -60.92 168.18 2.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.47 79.33 0.39 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -42.84 122.36 2.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 m -101.76 90.98 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.16 45.62 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.446 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.406 ' C ' ' HD2' ' A' ' 9' ' ' LYS . 26.3 m -118.06 171.52 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.9 0.381 . . . . 0.0 111.139 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.406 ' HD2' ' C ' ' A' ' 8' ' ' VAL . 4.8 mptt -139.56 143.84 37.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.603 0.716 . . . . 0.0 110.916 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 141.5 45.37 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.656 2.237 . . . . 0.0 112.337 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -40.37 5.38 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.685 2.257 . . . . 0.0 112.323 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.442 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 1.3 p80 -131.88 -41.55 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.99 34.95 0.31 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.437 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.604 ' CE2' HG21 ' A' ' 66' ' ' ILE . 18.9 m-85 -139.21 154.88 48.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 110.891 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -125.88 174.6 8.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.61 ' HG3' HG23 ' A' ' 39' ' ' THR . 25.5 mtmt -102.25 156.14 17.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.4 mtmt 66.18 25.24 10.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 15.7 ptt? -113.28 172.5 6.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.665 ' NZ ' HG11 ' A' ' 33' ' ' VAL . 20.9 mmtp -112.37 145.99 39.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.828 HD13 HG23 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -163.99 140.76 6.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.466 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 69.9 mt-10 -81.3 115.43 20.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.663 HG22 HD11 ' A' ' 20' ' ' LEU . 73.3 t -108.31 146.63 13.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 54.2 t -85.63 118.25 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.122 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -51.13 134.23 27.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -69.69 -38.9 77.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.779 ' HE ' ' N ' ' A' ' 26' ' ' ARG . 0.8 OUTLIER -66.68 -38.26 86.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -138.51 104.99 7.69 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.579 0.704 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.472 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 54.2 Cg_endo -69.7 -3.03 11.16 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.347 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.2 mmt -97.17 8.25 44.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -131.24 133.45 45.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.644 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 23.7 mt -129.1 140.7 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.088 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.451 ' NH2' ' O ' ' A' ' 81' ' ' PRO . 17.2 mtp85 -141.23 171.92 13.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.819 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.665 HG11 ' NZ ' ' A' ' 19' ' ' LYS . 68.4 t -72.18 145.85 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 20' ' ' LEU . . . -131.23 168.9 16.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 84.8 m -139.68 107.2 5.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.9 t -62.22 102.83 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.106 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.94 -47.6 16.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -140.56 145.33 36.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.806 HG22 HG12 ' A' ' 44' ' ' VAL . 74.5 p -115.97 121.32 41.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.521 ' OD1' ' CH2' ' A' ' 58' ' ' TRP . 5.8 m-20 -92.49 -175.24 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -45.77 -63.3 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -127.01 32.11 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.9 mtt85 -146.5 168.35 21.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.806 HG12 HG22 ' A' ' 39' ' ' THR . 4.2 m -151.24 118.31 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -65.61 109.45 2.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 46' ' ' VAL . 15.9 m -99.1 114.5 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -101.26 138.83 37.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -94.28 102.64 14.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -45.17 123.69 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 103.3 -45.82 1.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.571 ' CD1' HD23 ' A' ' 83' ' ' LEU . 30.0 m95 -72.81 145.34 47.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.831 0.348 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -46.88 132.58 11.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.439 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 24.1 m-80 -47.84 -33.26 7.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.1 m -51.09 -47.47 61.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.449 ' O ' ' C ' ' A' ' 56' ' ' ASP . 35.3 m-85 -46.28 -41.32 12.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 55' ' ' TYR . 17.9 m-20 -34.41 144.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -150.68 155.89 40.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.521 ' CH2' ' OD1' ' A' ' 40' ' ' ASP . 47.8 m95 -86.15 105.54 16.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.611 HG23 HD11 ' A' ' 66' ' ' ILE . 16.2 tt -105.23 144.29 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.78 125.1 24.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.09 -24.86 64.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -94.54 17.14 13.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.1 t -81.64 136.8 48.1 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.63 0.729 . . . . 0.0 110.875 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -16.63 37.55 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.374 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.41 -32.94 70.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.828 HG23 HD13 ' A' ' 20' ' ' LEU . 66.5 mt -68.06 129.08 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 93.3 m-70 -129.09 142.74 46.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.609 0.719 . . . . 0.0 110.871 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 158.91 55.36 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.695 2.263 . . . . 0.0 112.339 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.5 t -60.16 103.48 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.089 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 123.77 6.7 7.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.644 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 3.0 t90 -66.56 -14.65 62.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.336 . . . . 0.0 110.969 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 16.7 p -70.02 -24.64 63.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.1 m -88.93 -50.44 6.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -39.26 -65.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.8 p -77.64 -43.17 32.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 110.08 29.11 3.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.479 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 4.1 m80 -94.19 145.83 30.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.582 0.706 . . . . 0.0 110.835 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 139.07 39.33 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.638 2.225 . . . . 0.0 112.37 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.4 tp -108.21 140.46 41.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.952 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -105.9 127.45 28.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.628 0.728 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.451 ' O ' ' NH2' ' A' ' 32' ' ' ARG . 53.6 Cg_endo -69.8 154.73 67.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -167.84 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.325 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.571 HD23 ' CD1' ' A' ' 51' ' ' TRP . 4.5 mm? -70.51 175.19 4.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.6 m -62.31 158.34 48.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.683 0.754 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -0.93 7.58 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.259 . . . . 0.0 112.379 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.614 ' C ' HD12 ' A' ' 86' ' ' LEU . 2.5 pp -105.89 -20.94 13.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -71.17 -53.74 13.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.795 HD12 ' N ' ' A' ' 89' ' ' MET . 3.7 pp -48.59 -48.98 38.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.795 ' N ' HD12 ' A' ' 88' ' ' LEU . 2.9 ppp? -75.24 155.28 36.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -134.66 122.29 22.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.03 156.15 25.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.041 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.0 t -126.56 -48.42 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -153.32 124.73 7.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -41.34 161.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -178.26 179.01 48.67 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.523 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.46 91.81 2.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 5.6 t -98.88 106.64 18.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.787 0.327 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.0 m -63.85 152.77 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 41.3 p -110.55 152.62 43.5 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.587 0.708 . . . . 0.0 111.104 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -175.89 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.649 2.233 . . . . 0.0 112.367 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -179.2 -119.08 0.6 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.4 t -58.95 159.0 7.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.915 0.388 . . . . 0.0 110.849 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -123.24 -157.45 9.87 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 135.89 31.54 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.294 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 79.7 p -88.41 -59.09 2.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.2 t -132.9 154.39 50.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.453 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -84.59 88.5 7.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.877 0.37 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -83.34 -58.02 3.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.86 61.12 4.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.2 m -124.19 81.71 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.84 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.3 p -167.36 135.58 2.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.79 100.5 1.79 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.0 p -127.76 144.74 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.941 0.4 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -98.22 151.05 37.33 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.587 0.708 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 121.23 7.92 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.85 -46.46 1.18 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.704 2.269 . . . . 0.0 112.31 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.488 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 1.2 p80 -125.12 -48.27 1.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.88 30.31 0.33 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.447 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.84 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 32.0 m-85 -128.91 145.06 51.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 110.87 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -115.56 166.15 12.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.541 ' HG3' HG23 ' A' ' 39' ' ' THR . 15.2 mtmt -94.0 154.45 17.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.6 mttm 68.4 24.98 7.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.915 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 11.7 ptt? -114.19 178.14 4.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.424 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 21.6 mmtm -115.19 152.61 32.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.945 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.93 HD11 HG22 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -167.0 140.71 3.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.431 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 75.1 mt-10 -81.16 117.47 21.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.93 HG22 HD11 ' A' ' 20' ' ' LEU . 42.7 t -113.08 142.1 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.558 HG22 HG12 ' A' ' 31' ' ' ILE . 92.0 t -83.56 118.08 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -56.12 121.25 8.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -54.17 -58.26 8.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.519 ' NH1' ' CE1' ' A' ' 55' ' ' TYR . 7.6 ptm180 -53.03 -35.88 59.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -133.0 96.06 18.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.475 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.6 Cg_endo -69.74 -9.74 26.87 Favored 'Trans proline' 0 N--CA 1.466 -0.128 0 C-N-CA 122.738 2.292 . . . . 0.0 112.35 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.4 mtt -94.84 13.39 24.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -135.84 129.44 32.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.558 HG12 HG22 ' A' ' 23' ' ' VAL . 28.9 mt -125.0 130.2 73.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -130.18 168.92 16.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.424 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 50.2 t -69.94 150.15 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -136.85 167.37 21.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.5 m -135.09 112.51 10.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.7 t -60.71 103.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.23 -55.36 5.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.092 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.414 ' HB3' ' CH2' ' A' ' 58' ' ' TRP . 2.3 t70 -139.26 135.43 33.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.541 HG23 ' HG3' ' A' ' 16' ' ' LYS . 70.3 p -104.85 110.38 22.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.479 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 9.9 t0 -83.62 -178.22 6.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.42 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 27.8 m-20 -41.57 -68.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.42 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 2.3 m-70 -123.9 33.44 5.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.3 mtt85 -148.13 173.57 12.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 44' ' ' VAL . 34.6 m -156.66 121.19 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -72.41 103.85 3.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.42 HG12 HD21 ' A' ' 20' ' ' LEU . 5.9 m -82.72 120.68 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -103.87 119.08 38.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.825 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.798 ' CD2' ' CZ2' ' A' ' 51' ' ' TRP . 83.6 m-85 -85.75 103.64 14.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -57.54 126.92 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.443 ' C ' ' HB2' ' A' ' 83' ' ' LEU . . . 101.71 -42.18 1.97 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.798 ' CZ2' ' CD2' ' A' ' 48' ' ' PHE . 18.9 m0 -48.52 171.48 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.727 0.298 . . . . 0.0 110.939 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -123.06 -174.03 2.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.501 ' O ' ' N ' ' A' ' 55' ' ' TYR . 5.1 t-20 39.1 42.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 56' ' ' ASP . 1.7 m 32.0 36.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.519 ' CE1' ' NH1' ' A' ' 26' ' ' ARG . 7.3 m-85 -33.4 -34.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.6 OUTLIER -34.55 150.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -152.88 167.51 28.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.479 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 53.6 m95 -84.13 105.89 15.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.867 HG23 HD11 ' A' ' 66' ' ' ILE . 16.9 tt -111.34 143.04 21.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.162 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.773 ' O ' HD12 ' A' ' 66' ' ' ILE . 2.2 m-20 -66.01 127.81 33.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.84 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -61.71 -25.46 67.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.89 14.57 21.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 t -72.95 140.95 81.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.617 0.722 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -20.14 35.55 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.45 -28.8 52.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.867 HD11 HG23 ' A' ' 59' ' ' ILE . 54.2 mt -71.67 124.13 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 98.2 m-70 -125.72 142.55 42.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.714 . . . . 0.0 110.868 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 164.95 32.65 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.322 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 69' ' ' VAL . 27.1 t -64.97 97.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.79 18.01 2.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.515 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.517 ' CH2' ' HB2' ' A' ' 77' ' ' HIS . 1.4 t90 -76.1 -23.77 54.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.783 0.325 . . . . 0.0 110.93 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.428 ' HA ' ' CE3' ' A' ' 71' ' ' TRP . 26.9 p -50.89 -43.05 59.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 74' ' ' LYS . 3.8 m -72.26 -51.52 20.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 73' ' ' SER . 47.2 mtpt -35.18 -65.45 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.7 p -78.21 -47.33 18.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.04 32.68 1.8 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.519 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.517 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 0.6 OUTLIER -108.69 149.66 39.75 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.563 0.697 . . . . 0.0 110.85 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 147.35 62.7 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.679 2.253 . . . . 0.0 112.394 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.3 tp -114.83 147.14 40.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -112.29 131.52 22.54 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.547 0.689 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.37 60.63 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.648 2.232 . . . . 0.0 112.392 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 160.34 50.06 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.443 ' HB2' ' C ' ' A' ' 50' ' ' GLY . 8.4 mp -65.02 135.41 55.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 m -65.2 161.6 47.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.661 0.743 . . . . 0.0 110.828 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 2.96 3.07 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.348 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.1 pp -94.84 -29.23 14.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -63.34 -31.21 72.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.708 HD12 ' O ' ' A' ' 88' ' ' LEU . 4.0 pp -93.91 36.69 1.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 37.7 mtt -90.61 97.21 11.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -111.91 138.03 49.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.853 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.72 100.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.06 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.9 t -154.3 116.34 4.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -45.13 106.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -99.88 171.89 7.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -105.63 -133.91 7.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.447 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 44.25 49.76 8.05 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.49 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 75.6 m -83.5 100.71 10.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.1 m -166.18 138.96 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.8 t -155.73 127.57 3.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 111.165 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 159.19 54.32 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.315 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -153.02 113.18 0.56 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.532 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 54.0 p -168.6 170.8 9.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.925 0.393 . . . . 0.0 110.855 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 174.64 95.0 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 172.93 11.71 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.636 2.224 . . . . 0.0 112.359 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.5 p -136.78 179.13 6.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 91.2 p -143.67 148.5 35.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.822 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 m -114.38 96.75 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.338 . . . . 0.0 110.869 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 m -74.79 -59.52 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.21 64.03 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.461 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 p -112.54 127.42 56.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 110.87 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.5 p -134.62 139.59 45.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.12 59.99 7.06 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.6 p -128.91 144.66 37.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.941 0.401 . . . . 0.0 111.126 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 9' ' ' LYS . 1.3 mppt? -110.92 143.76 28.94 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.59 0.71 . . . . 0.0 110.862 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 138.49 37.87 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.703 2.268 . . . . 0.0 112.347 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -46.84 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.673 2.249 . . . . 0.0 112.33 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.43 ' CE1' ' HB ' ' A' ' 39' ' ' THR . 1.8 p80 -118.86 -24.77 6.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.75 -45.09 1.28 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.462 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -47.02 157.82 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.786 0.327 . . . . 0.0 110.886 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -128.36 161.95 28.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.435 ' NZ ' ' HB2' ' A' ' 16' ' ' LYS . 1.7 mtmp? -90.71 163.82 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? 61.81 25.15 15.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -114.75 -178.5 3.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.622 ' O ' HG23 ' A' ' 69' ' ' VAL . 40.9 mmtm -119.81 147.6 44.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.968 HD11 HG22 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -159.57 139.59 11.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.515 ' OE1' HD13 ' A' ' 79' ' ' LEU . 52.1 mt-10 -81.03 115.69 20.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.968 HG22 HD11 ' A' ' 20' ' ' LEU . 21.7 t -109.84 147.64 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.496 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 98.9 t -90.67 114.26 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 27' ' ' ASN . 21.1 t0 -52.86 107.99 0.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 10.6 mmmt -42.04 -52.49 4.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -63.27 -28.23 69.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' ASP . 48.9 m-20 -131.24 91.3 35.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.496 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.8 Cg_endo -69.77 -7.17 20.38 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.692 2.261 . . . . 0.0 112.307 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 26.0 mmt -105.55 14.38 28.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -136.57 127.19 27.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.517 ' O ' HD12 ' A' ' 79' ' ' LEU . 43.0 mt -122.92 133.92 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -127.35 -175.0 3.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.479 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 25.4 t -87.9 142.1 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.16 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -131.72 162.01 31.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.5 m -133.17 114.8 14.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.138 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.9 t -60.06 102.47 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.32 -54.43 6.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -139.59 133.37 30.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.736 HG22 HG12 ' A' ' 44' ' ' VAL . 49.1 p -102.87 109.26 20.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 43' ' ' ARG . 29.7 m-20 -83.97 -177.29 6.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.578 ' HB3' ' CD2' ' A' ' 42' ' ' HIS . 26.1 m-20 -38.3 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.578 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 3.9 m-70 -121.04 34.23 5.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 40' ' ' ASP . 24.4 mtt85 -148.55 161.72 41.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.736 HG12 HG22 ' A' ' 39' ' ' THR . 22.3 m -142.93 117.86 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -66.22 108.03 2.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.536 HG12 HD21 ' A' ' 20' ' ' LEU . 8.4 m -89.2 113.26 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.439 ' ND1' ' OD2' ' A' ' 56' ' ' ASP . 7.7 t60 -101.12 118.17 36.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.595 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 7.5 m-85 -83.17 112.26 19.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 82' ' ' PRO . 1.6 t70 -61.61 134.15 56.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.422 ' HA2' HD22 ' A' ' 88' ' ' LEU . . . 98.67 -41.36 2.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.768 ' HA ' HD12 ' A' ' 83' ' ' LEU . 18.1 m95 -52.13 171.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.811 0.338 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 87' ' ' GLU . 2.0 m-80 -125.33 -174.7 3.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 54' ' ' CYS . 46.1 t30 38.89 42.11 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 56' ' ' ASP . 1.7 m 33.89 39.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -37.81 -27.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.9 OUTLIER -39.15 159.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -155.34 162.66 40.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -82.08 105.54 13.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.828 HG23 HD11 ' A' ' 66' ' ' ILE . 16.1 tt -110.69 145.09 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.135 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.736 ' O ' HD12 ' A' ' 66' ' ' ILE . 3.7 m-20 -70.66 126.46 29.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.38 -22.62 54.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -92.08 -2.86 56.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.0 t -54.82 137.02 64.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.652 0.739 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -18.31 37.24 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.622 2.215 . . . . 0.0 112.358 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.452 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.4 OUTLIER -79.77 -26.86 40.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.828 HD11 HG23 ' A' ' 59' ' ' ILE . 68.9 mt -71.26 126.18 31.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.509 ' HB3' ' CG ' ' A' ' 71' ' ' TRP . 91.5 m-70 -129.16 145.54 57.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.64 0.733 . . . . 0.0 110.863 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 158.79 55.69 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.654 2.236 . . . . 0.0 112.314 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 19' ' ' LYS . 41.8 t -50.48 -30.53 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.02 40.46 2.54 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.453 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.708 ' CE2' HG21 ' A' ' 75' ' ' THR . 70.3 t90 -91.03 -51.69 5.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.792 0.33 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 71' ' ' TRP . 31.9 p -35.94 -39.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 74' ' ' LYS . 66.7 m -68.3 -66.28 0.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 73' ' ' SER . 24.0 mttt -33.64 -70.71 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.708 HG21 ' CE2' ' A' ' 71' ' ' TRP . 1.5 p -68.77 -41.72 78.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.181 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.61 31.61 7.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.479 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.568 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 1.0 OUTLIER -97.17 145.6 29.9 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.836 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 123.81 10.48 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.653 2.235 . . . . 0.0 112.393 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.517 HD12 ' O ' ' A' ' 31' ' ' ILE . 32.8 tp -90.79 145.96 24.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -116.02 134.28 22.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.623 0.725 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 168.72 20.83 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.425 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 54.0 Cg_endo -69.75 164.47 34.41 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.692 2.261 . . . . 0.0 112.394 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.938 HD22 ' OE1' ' A' ' 87' ' ' GLU . 13.5 mt -52.43 162.6 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.6 m -56.48 148.12 46.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.666 0.745 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.472 ' HA ' HD21 ' A' ' 88' ' ' LEU . 53.9 Cg_endo -69.69 3.1 2.93 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.691 2.26 . . . . 0.0 112.318 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -102.25 -26.3 13.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.938 ' OE1' HD22 ' A' ' 83' ' ' LEU . 51.3 mt-10 -65.96 -8.94 25.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.472 HD21 ' HA ' ' A' ' 85' ' ' PRO . 1.3 pt? -130.26 38.67 3.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.451 ' O ' ' C ' ' A' ' 90' ' ' GLU . 40.4 ttp -101.88 35.5 2.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 89' ' ' MET . 6.2 tp10 -34.54 -54.88 0.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -126.46 124.04 39.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.2 m -67.28 128.92 38.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -118.28 115.38 24.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -135.4 119.97 18.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -132.76 153.74 20.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -82.92 -173.64 49.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.509 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 8.1 t -170.89 148.07 2.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.6 t -82.2 109.37 16.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.41 HG23 ' HD2' ' A' ' 100' ' ' PRO . 56.2 m -139.41 132.31 15.44 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.535 0.683 . . . . 0.0 111.164 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.41 ' HD2' HG23 ' A' ' 99' ' ' THR . 54.1 Cg_endo -69.76 127.16 14.2 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.722 2.281 . . . . 0.0 112.349 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -133.87 176.4 19.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.444 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.2 m -133.96 174.97 9.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.914 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -162.54 146.5 11.96 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -45.08 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.637 2.225 . . . . 0.0 112.354 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.6 t 72.29 40.81 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.0 t -67.45 116.48 8.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.499 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t 67.99 41.98 1.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 0.0 110.854 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.9 p -102.88 167.83 9.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.87 57.44 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.9 p -162.94 163.39 26.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.854 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m -89.7 87.02 6.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.85 -54.05 1.34 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.8 p -91.69 153.54 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.963 0.411 . . . . 0.0 111.089 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.67 150.9 53.46 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.541 0.686 . . . . 0.0 110.955 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.457 ' HA ' ' HD2' ' A' ' 11' ' ' PRO . 53.3 Cg_endo -69.75 110.32 2.52 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.746 2.298 . . . . 0.0 112.306 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.457 ' HD2' ' HA ' ' A' ' 10' ' ' PRO . 53.6 Cg_endo -69.8 -41.59 4.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.642 2.228 . . . . 0.0 112.337 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.467 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 1.6 p80 -119.28 -35.16 3.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.57 39.47 0.84 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.729 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 12.3 m-85 -133.29 152.9 51.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.788 0.328 . . . . 0.0 110.898 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -120.53 158.27 27.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -90.89 149.41 21.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.7 mttm 71.38 27.58 3.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.8 ptt? -111.62 177.85 4.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.485 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 39.2 mmtt -118.34 143.17 46.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.735 HD13 HG23 ' A' ' 66' ' ' ILE . 0.5 OUTLIER -160.82 142.39 12.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.972 179.891 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.471 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 94.2 mt-10 -84.73 117.77 24.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.665 ' CG2' HD11 ' A' ' 20' ' ' LEU . 69.2 t -108.92 142.41 21.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.072 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.588 HG22 HG12 ' A' ' 31' ' ' ILE . 94.2 t -88.53 116.45 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -53.46 118.69 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 10.5 mmmt -51.89 -58.24 7.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -32.58 67.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -128.61 93.33 38.08 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.648 0.737 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -4.13 13.43 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.576 ' HG2' ' CD1' ' A' ' 30' ' ' PHE . 1.2 pmm? -107.81 16.69 23.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.576 ' CD1' ' HG2' ' A' ' 29' ' ' MET . 34.8 m-85 -134.95 112.01 10.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.588 HG12 HG22 ' A' ' 23' ' ' VAL . 44.4 mt -112.24 131.28 64.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.443 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 62.5 mtt85 -130.29 165.91 21.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.485 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 24.8 t -70.09 141.01 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 20' ' ' LEU . . . -127.41 163.72 23.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.4 m -137.63 109.97 7.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.6 t -58.96 102.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.55 -50.29 8.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -138.1 130.13 28.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.834 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.3 p -99.74 109.97 22.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 9.2 t0 -76.95 -175.03 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.578 ' OD1' ' CD2' ' A' ' 42' ' ' HIS . 1.0 OUTLIER -49.33 -58.17 5.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.578 ' CD2' ' OD1' ' A' ' 41' ' ' ASP . 8.1 m-70 -125.26 -5.94 7.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 40' ' ' ASP . 52.4 mtt180 -112.38 166.88 10.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.502 HG13 ' HB2' ' A' ' 61' ' ' ALA . 34.8 m -147.21 124.64 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -68.13 121.02 15.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 m -107.84 115.29 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -102.71 130.38 49.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' A' ' 32' ' ' ARG . 3.4 m-85 -84.66 105.86 15.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -39.9 122.2 1.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.4 -63.27 1.17 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -49.0 140.93 8.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.763 0.316 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -45.88 149.23 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 2.2 t-20 -57.83 -33.98 69.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.4 t -51.05 -55.08 19.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -39.75 -44.44 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 2.2 m-20 -41.72 156.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -161.53 150.28 15.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.562 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 50.0 m95 -75.26 107.65 7.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.587 HG23 HD11 ' A' ' 66' ' ' ILE . 16.6 tt -111.95 146.63 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.118 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.577 ' O ' HD12 ' A' ' 66' ' ' ILE . 12.2 m-20 -69.23 125.34 26.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.729 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -62.59 -12.81 25.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -102.59 2.82 36.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.2 t -67.45 141.9 95.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.66 0.743 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -28.03 25.49 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.358 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.04 -36.16 80.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.735 HG23 HD13 ' A' ' 20' ' ' LEU . 97.0 mt -64.0 122.34 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 97.1 m-70 -123.96 142.99 41.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.553 0.692 . . . . 0.0 110.894 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.77 59.25 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.329 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.432 HG23 ' HA ' ' A' ' 20' ' ' LEU . 16.0 t -59.17 103.89 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.86 5.42 6.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.547 ' CH2' ' HB2' ' A' ' 77' ' ' HIS . 1.5 t90 -66.86 -16.19 64.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.755 0.312 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 21.3 p -61.88 -30.22 70.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 74' ' ' LYS . 21.3 m -83.96 -53.73 5.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 73' ' ' SER . 39.0 mtmt -35.2 -67.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.7 p -74.58 -42.76 58.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.51 30.66 3.72 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.547 ' HB2' ' CH2' ' A' ' 71' ' ' TRP . 5.0 m80 -102.13 144.62 28.95 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.639 0.733 . . . . 0.0 110.815 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 136.38 32.89 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.723 2.282 . . . . 0.0 112.33 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.1 tp -99.94 146.21 26.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -107.92 127.65 27.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.639 0.733 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 164.29 35.09 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.357 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -171.41 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.713 2.275 . . . . 0.0 112.369 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 83' ' ' LEU . 10.7 mt -60.79 -178.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.765 ' HB3' HD23 ' A' ' 86' ' ' LEU . 28.0 m -86.92 155.98 55.36 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.748 0.785 . . . . 0.0 110.834 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -1.67 8.88 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.765 HD23 ' HB3' ' A' ' 84' ' ' SER . 1.5 pt? -121.19 -3.75 9.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.976 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -110.09 -37.88 5.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.407 ' C ' HD12 ' A' ' 88' ' ' LEU . 2.8 pp -67.82 -17.23 64.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 13.8 ptp -42.52 144.87 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 91' ' ' ALA . 6.1 pm0 -150.84 145.76 25.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 90' ' ' GLU . . . 35.57 40.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.055 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 t -97.45 127.67 43.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -162.36 111.05 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -93.81 146.84 23.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 68.06 95.03 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -92.26 -57.51 1.46 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 22.0 p -54.6 156.89 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.88 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.2 p -94.69 166.75 11.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.793 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.597 HG22 ' H ' ' A' ' 101' ' ' GLY . 8.2 m -62.47 125.89 86.93 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.531 0.682 . . . . 0.0 111.108 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 0.03 6.23 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.73 2.286 . . . . 0.0 112.334 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.597 ' H ' HG22 ' A' ' 99' ' ' THR . . . -76.59 -151.04 3.7 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.9 m -117.71 159.14 23.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.96 0.41 . . . . 0.0 110.874 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -161.09 150.67 20.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.514 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 123.56 10.2 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.71 2.274 . . . . 0.0 112.3 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 85.0 p -162.01 172.07 16.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.5 t 69.92 42.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.528 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.9 m -63.29 143.89 57.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 0.0 110.868 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 m -156.59 140.62 16.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.877 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.46 43.04 1.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.465 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 m -134.2 157.53 46.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.359 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -151.35 150.99 31.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 44.58 84.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.8 p -173.43 137.62 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.895 0.378 . . . . 0.0 111.155 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -108.68 143.68 28.02 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.619 0.723 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 155.48 65.88 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -38.77 7.32 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.708 2.272 . . . . 0.0 112.309 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.616 ' CE1' ' CG1' ' A' ' 44' ' ' VAL . 8.5 p80 -165.67 -175.03 3.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.468 ' C ' ' CD1' ' A' ' 14' ' ' PHE . . . -104.25 56.98 0.55 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.617 ' CE2' HG21 ' A' ' 66' ' ' ILE . 21.1 m-85 -144.95 155.6 43.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -132.05 172.69 12.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -94.98 149.61 21.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt 69.33 27.83 4.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -115.0 -176.88 3.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.486 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 44.2 mmtm -122.01 150.23 42.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.918 HD11 HG22 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -165.66 141.07 5.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 67' ' ' HIS . 75.8 mt-10 -81.72 117.67 22.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.918 HG22 HD11 ' A' ' 20' ' ' LEU . 41.3 t -112.71 144.02 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.495 ' CG1' ' HA ' ' A' ' 28' ' ' PRO . 90.4 t -85.53 128.16 39.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 27' ' ' ASN . 12.4 t0 -67.58 113.1 5.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 7.9 mmmt -45.4 -55.47 6.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 26' ' ' ARG . 0.2 OUTLIER -63.52 -29.19 70.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 24' ' ' ASP . 28.8 m-20 -131.66 90.82 35.68 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.656 0.741 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.495 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.7 Cg_endo -69.75 -20.23 35.15 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.633 2.222 . . . . 0.0 112.342 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.9 ptp -89.2 14.84 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -135.98 129.32 31.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.722 ' O ' HD12 ' A' ' 79' ' ' LEU . 53.5 mt -127.11 134.61 65.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.153 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.7 mtt-85 -130.5 -176.03 3.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.486 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 96.6 t -85.82 143.39 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.413 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -132.52 145.09 50.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.3 m -116.82 113.57 22.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.8 t -60.47 102.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.96 -48.06 15.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -137.26 138.94 40.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.601 HG22 HG12 ' A' ' 44' ' ' VAL . 1.7 p -109.72 109.44 20.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 12.3 t0 -76.29 -174.69 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.1 -36.82 72.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.446 ' H ' ' CD2' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -134.17 11.92 3.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.827 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' ASP . 11.9 mtt85 -146.18 172.02 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.616 ' CG1' ' CE1' ' A' ' 12' ' ' HIS . 28.0 m -150.22 117.77 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -63.66 114.58 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.5 m -100.54 119.7 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 37.9 t60 -106.01 140.41 39.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.589 ' HB3' ' CD1' ' A' ' 51' ' ' TRP . 4.5 m-85 -95.57 105.0 16.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -43.46 124.83 3.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.75 -40.64 2.59 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.589 ' CD1' ' HB3' ' A' ' 48' ' ' PHE . 25.7 m95 -64.01 139.21 58.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -42.56 162.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -83.99 42.14 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 96.2 m -127.15 -45.58 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 56' ' ' ASP . 98.1 m-85 -50.04 -41.15 47.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -34.69 130.19 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -144.1 156.01 44.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.571 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 52.3 m95 -80.51 104.97 11.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.537 HG23 HD11 ' A' ' 66' ' ' ILE . 17.1 tt -105.83 144.4 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.097 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.607 ' O ' HD12 ' A' ' 66' ' ' ILE . 3.9 m-20 -66.54 124.29 22.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.525 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -58.19 -29.29 65.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -93.63 16.73 13.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.2 t -72.53 142.03 83.49 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.647 0.737 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -27.68 26.14 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.644 2.229 . . . . 0.0 112.31 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.488 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 1.8 m-20 -68.75 -33.34 73.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.666 HG23 HD13 ' A' ' 20' ' ' LEU . 77.3 mt -63.56 125.51 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.516 ' HB3' ' CG ' ' A' ' 71' ' ' TRP . 92.2 m-70 -129.0 143.5 49.01 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.554 0.692 . . . . 0.0 110.897 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 152.62 69.15 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.474 HG21 ' HB2' ' A' ' 19' ' ' LYS . 15.2 t -45.03 -28.45 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.02 43.4 1.94 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.584 ' CZ3' ' CD1' ' A' ' 31' ' ' ILE . 87.1 t90 -95.06 -53.86 3.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.735 0.302 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.4 p -39.41 -38.8 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 74' ' ' LYS . 22.9 t -76.44 -61.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 73' ' ' SER . 26.7 mtpt -38.24 -49.88 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.2 p -87.86 -47.51 8.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.48 34.35 3.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.579 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 6.5 m80 -101.65 150.12 37.03 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.612 0.72 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 134.99 29.43 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.722 HD12 ' O ' ' A' ' 31' ' ' ILE . 22.5 tp -107.82 139.93 41.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -100.36 128.23 30.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 152.59 69.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.26 . . . . 0.0 112.402 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 178.87 4.16 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.325 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.26 160.83 9.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.668 ' HB3' HD12 ' A' ' 86' ' ' LEU . 38.0 m -45.75 155.38 0.49 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.704 0.764 . . . . 0.0 110.811 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -2.48 10.22 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.701 2.267 . . . . 0.0 112.362 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.668 HD12 ' HB3' ' A' ' 84' ' ' SER . 0.1 OUTLIER -110.17 -29.34 8.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -56.77 -33.58 66.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.616 HD23 ' H ' ' A' ' 88' ' ' LEU . 2.5 pt? -92.06 19.03 7.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.966 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.2 mmt -51.69 159.25 0.81 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -168.6 124.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -99.64 147.31 25.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.3 p -118.7 -52.1 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 55.79 49.74 15.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 -70.24 146.44 50.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.13 69.35 1.93 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -128.63 -178.53 15.41 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.474 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 31.8 p -145.01 170.15 16.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.852 0.358 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.0 p -136.19 167.15 21.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.514 HG23 ' HD2' ' A' ' 100' ' ' PRO . 26.0 m -144.67 137.06 13.34 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.614 0.721 . . . . 0.0 111.148 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.514 ' HD2' HG23 ' A' ' 99' ' ' THR . 54.2 Cg_endo -69.68 174.78 8.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.713 2.275 . . . . 0.0 112.352 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -173.55 158.83 28.37 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.457 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.0 p -140.69 156.22 46.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.937 0.399 . . . . 0.0 110.838 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -75.29 157.5 49.8 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.514 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 105' ' ' SER . 53.5 Cg_endo -69.77 2.47 3.5 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.701 2.268 . . . . 0.0 112.352 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 104' ' ' PRO . 1.4 t -35.22 -43.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 67.5 m -99.68 93.01 5.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.855 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.496 -179.969 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.2 m -91.99 119.72 31.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.864 0.364 . . . . 0.0 110.829 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 m -64.1 177.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.04 -138.49 3.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -155.35 171.88 19.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -103.58 155.99 18.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.69 115.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.4 p -169.63 146.81 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.927 0.394 . . . . 0.0 111.11 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -85.05 143.99 40.71 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.592 0.71 . . . . 0.0 110.857 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 128.35 15.86 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.34 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.405 ' HB2' ' O ' ' A' ' 41' ' ' ASP . 53.2 Cg_endo -69.72 -37.91 8.61 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.337 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.431 ' CE1' ' CG1' ' A' ' 44' ' ' VAL . 10.7 p80 -160.04 -174.98 4.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.23 56.67 0.48 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.506 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.519 ' HE2' HD22 ' A' ' 20' ' ' LEU . 10.5 m-85 -132.48 156.95 45.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.36 . . . . 0.0 110.897 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -136.05 161.98 34.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -83.44 148.69 27.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.8 mttt 64.91 34.38 9.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.425 ' HE2' HG21 ' A' ' 36' ' ' VAL . 10.9 ptt? -117.3 -179.03 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HD2' ' CG1' ' A' ' 33' ' ' VAL . 32.4 mmtm -121.6 140.5 52.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.691 HD11 ' CG2' ' A' ' 22' ' ' VAL . 0.4 OUTLIER -157.25 141.93 16.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.46 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . 88.0 mt-10 -81.83 122.2 27.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.691 ' CG2' HD11 ' A' ' 20' ' ' LEU . 44.7 t -114.99 141.88 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.513 HG22 HG12 ' A' ' 31' ' ' ILE . 78.0 t -84.99 116.01 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' ASN . 13.4 t0 -52.75 109.06 0.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 1.4 mmmm -42.08 -58.09 2.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -60.44 -33.73 72.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 24' ' ' ASP . 17.1 m-80 -124.17 92.16 48.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.655 0.741 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.464 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 53.7 Cg_endo -69.7 -15.34 37.25 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.588 ' HG3' ' CD1' ' A' ' 30' ' ' PHE . 18.5 ptp -95.51 14.15 23.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.588 ' CD1' ' HG3' ' A' ' 29' ' ' MET . 44.0 m-85 -135.03 130.38 35.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.529 ' CD1' ' CZ3' ' A' ' 71' ' ' TRP . 36.6 mt -127.55 141.2 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 -142.26 164.12 31.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.466 ' CG1' ' HD2' ' A' ' 19' ' ' LYS . 91.6 t -67.82 145.54 13.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.409 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . . . -131.31 170.03 15.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.06 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.6 m -138.38 116.27 11.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.425 HG21 ' HE2' ' A' ' 18' ' ' MET . 16.3 t -67.55 103.19 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.08 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.87 -35.4 32.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -150.85 140.45 21.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.569 HG22 HG12 ' A' ' 44' ' ' VAL . 12.3 p -107.34 109.35 21.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.574 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . 16.2 t70 -83.13 176.45 9.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 11' ' ' PRO . 21.5 m-20 -42.1 -66.24 0.37 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.401 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 3.7 m-70 -123.59 27.95 7.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 40' ' ' ASP . 15.4 mtt85 -146.08 165.55 28.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.569 HG12 HG22 ' A' ' 39' ' ' THR . 27.1 m -146.01 119.05 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.409 ' NZ ' ' CD1' ' A' ' 58' ' ' TRP . 13.2 tttp -64.9 112.18 3.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 46' ' ' VAL . 10.2 m -99.84 114.08 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.131 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -103.9 127.75 51.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -81.77 103.77 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -38.98 124.17 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.93 -49.89 1.75 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.459 ' CD1' HD23 ' A' ' 83' ' ' LEU . 21.1 m95 -59.72 142.96 52.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.774 0.321 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -46.59 154.68 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -64.51 -34.12 77.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' TYR . 10.0 t -52.85 -56.76 13.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 56' ' ' ASP . 11.6 m-85 -37.75 -48.78 1.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 1.0 OUTLIER -35.38 149.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -156.77 152.65 27.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.574 ' CZ3' ' HB2' ' A' ' 40' ' ' ASP . 54.8 m95 -79.24 105.13 10.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.976 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.831 HG23 HD11 ' A' ' 66' ' ' ILE . 15.8 tt -108.21 140.2 27.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.162 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.654 ' O ' HD12 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -64.8 121.38 14.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.856 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.513 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -57.12 -18.25 14.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.103 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -95.28 -12.97 25.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.815 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.2 t -48.08 135.78 11.55 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.88 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -11.44 30.86 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.332 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.503 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -81.49 -25.94 35.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.878 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.831 HD11 HG23 ' A' ' 59' ' ' ILE . 86.0 mt -74.65 129.78 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 71' ' ' TRP . 95.7 m-70 -129.07 141.64 42.45 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.541 0.686 . . . . 0.0 110.896 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 165.05 32.3 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.685 2.257 . . . . 0.0 112.32 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.416 ' O ' HG12 ' A' ' 69' ' ' VAL . 15.9 t -64.91 100.88 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 125.49 14.71 3.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.541 ' CD2' ' O ' ' A' ' 71' ' ' TRP . 0.9 OUTLIER -77.16 -12.03 59.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.752 0.31 . . . . 0.0 110.925 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.1 p -65.68 -29.5 70.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 74' ' ' LYS . 68.5 m -80.41 -51.29 9.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 73' ' ' SER . 41.0 mtpt -34.71 -66.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.8 p -81.78 -45.12 16.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 111.64 34.25 2.1 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.496 ' HB2' ' CZ3' ' A' ' 71' ' ' TRP . 3.1 m80 -97.57 143.64 26.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.641 0.734 . . . . 0.0 110.811 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 133.25 25.1 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.2 tp -99.46 138.01 37.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -101.72 125.34 37.52 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 149.37 66.62 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.376 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -174.97 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.324 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.459 HD23 ' CD1' ' A' ' 51' ' ' TRP . 4.3 mm? -55.53 163.31 1.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.6 m -52.97 158.73 2.16 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.632 0.729 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.768 ' O ' HD21 ' A' ' 88' ' ' LEU . 54.4 Cg_endo -69.75 1.18 4.66 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.382 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.63 -38.06 5.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.431 ' HG3' HD12 ' A' ' 83' ' ' LEU . 14.5 mm-40 -48.23 -46.82 35.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.768 HD21 ' O ' ' A' ' 85' ' ' PRO . 2.4 pt? -56.09 -40.23 73.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.47 ' N ' ' HG ' ' A' ' 88' ' ' LEU . 13.0 mtp -63.76 129.5 40.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -97.29 151.31 20.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -98.43 114.99 27.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 83.3 p -167.28 160.9 13.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -83.04 145.3 29.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -108.13 -57.69 2.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 122.88 -144.51 15.83 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.517 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -91.2 141.02 15.5 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.476 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.8 t -137.67 152.37 49.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.803 0.335 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.0 t -40.12 120.34 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.0 t -130.43 141.91 43.59 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.602 0.715 . . . . 0.0 111.116 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' GLY . 53.7 Cg_endo -69.71 2.57 3.39 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.713 2.276 . . . . 0.0 112.354 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 100' ' ' PRO . . . -34.99 -40.4 0.21 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.456 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 101' ' ' GLY . 18.9 p 36.52 53.37 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.941 0.401 . . . . 0.0 110.829 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.476 ' N ' ' HD2' ' A' ' 104' ' ' PRO . . . -69.15 -59.73 5.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 103' ' ' GLY . 53.7 Cg_endo -69.78 -176.58 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.65 2.234 . . . . 0.0 112.351 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 104' ' ' PRO . 66.5 m -34.73 118.09 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.7 p -170.81 148.82 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.831 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.457 -179.988 . . . . . . . . 0 0 . 1 stop_ save_